1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide

C16H20N2O2 — CID 110908761

IUPAC1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccccc2CO)CCCCC1
InChIInChI=1S/C16H20N2O2/c17-12-16(8-4-1-5-9-16)15(20)18-10-13-6-2-3-7-14(13)11-19/h2-3,6-7,19H,1,4-5,8-11H2,(H,18,20)
InChIKeyGIHDNNJWGVXBDJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.27
Rot. Bonds4

About 1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide

1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 110908761) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID110908761
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccccc2CO)CCCCC1
InChIInChI=1S/C16H20N2O2/c17-12-16(8-4-1-5-9-16)15(20)18-10-13-6-2-3-7-14(13)11-19/h2-3,6-7,19H,1,4-5,8-11H2,(H,18,20)
InChIKeyGIHDNNJWGVXBDJ-UHFFFAOYSA-N
XLogP2.27
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide (CID 110908761) is 1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide is N#CC1(C(=O)NCc2ccccc2CO)CCCCC1.
What is the InChIKey of 1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is GIHDNNJWGVXBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-12-16(8-4-1-5-9-16)15(20)18-10-13-6-2-3-7-14(13)11-19/h2-3,6-7,19H,1,4-5,8-11H2,(H,18,20).
What are the key properties of 1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 110908761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).