N-Cyclohexyl-formamide

ID: ALA46778

Chembl Id: CHEMBL46778

Cas Number: 766-93-8

PubChem CID: 13017

Product Number: S71364

Max Phase: Preclinical

Molecular Formula: C7H13NO

Molecular Weight: 127.19

Molecule Type: Small molecule

Names and Identifiers

Synonyms: N-Cyclohexyl-Formamide | N-Cyclohexylformamide|Cyclohexylformamide|766-93-8|Formamidocyclohexane|FORMAMIDE, N-CYCLOHEXYL-|N-formylcyclohexylamine|N-Cyclohexylformamid|N-Zyklohexylformamid|Formylaminocyclohexane|N-Cyclohexyl-Formamide|MFCD00003828|X2CFE4SDT6|CHEMBL46778|CHEBI:17945|NSC-76127|CXF|NSC 76127|BRN 2040181|N-CYCLOHEXYL FORMAMIDE|AI3-16743|N-yclohexylformamide|N-cyclohexylmethanamide|N-?Cyclohexylformamide|3lj7|UNII-X2CFE4SDT6|bmse000630|NCIOpen2_000858|N-Cyclohexylformamide, 99%|SCHEMBShow More⌵

Canonical SMILES:  O=CNC1CCCCC1

Standard InChI:  InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)

Standard InChI Key:  SWGXDLRCJNEEGZ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA46778

   CYCLOHEXYLFORMAMIDE

Molecule Features

Natural Product: Yes

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 127.19

Molecular Weight (Monoisotopic): 127.0997

AlogP: 1.07

#Rotatable Bonds: 2

Polar Surface Area: 29.10

Molecular Species: NEUTRAL

HBA: 1

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 2

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: 0.94

CX LogD: 0.94

Aromatic Rings: ┄

Heavy Atoms: 9

QED Weighted: 0.55

Np Likeness Score: 0.33

References

1. Schindler JF, Berst KB, Plapp BV..  (1998)  Inhibition of human alcohol dehydrogenases by formamides.,  41  (10): [PMID:9572895] [10.1021/jm9707380]

Source

Source(1):

• Scientific Literature