2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide

C17H25NO3 — CID 67073784

IUPAC2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide
SMILESCC1CC(CO)CCC1CNC(=O)c1ccccc1CO
InChIInChI=1S/C17H25NO3/c1-12-8-13(10-19)6-7-14(12)9-18-17(21)16-5-3-2-4-15(16)11-20/h2-5,12-14,19-20H,6-11H2,1H3,(H,18,21)
InChIKeySZDACZVIAIUJQC-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.95
Rot. Bonds5

About 2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide

2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide (PubChem CID 67073784) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide
PubChem CID67073784
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide
SMILESCC1CC(CO)CCC1CNC(=O)c1ccccc1CO
InChIInChI=1S/C17H25NO3/c1-12-8-13(10-19)6-7-14(12)9-18-17(21)16-5-3-2-4-15(16)11-20/h2-5,12-14,19-20H,6-11H2,1H3,(H,18,21)
InChIKeySZDACZVIAIUJQC-UHFFFAOYSA-N
XLogP1.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide
CID 107035039
2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115581693
N-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide
CID 10193717
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107419522
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115597703
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 94021918
2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62660422
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
CID 113464159
2-(hydroxymethyl)-N-tetradecylbenzamide
CID 23299401
N-(cyclohexylmethyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547420
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 95238690
2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide
CID 133132272

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide?
The IUPAC name of 2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide (CID 67073784) is 2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide is CC1CC(CO)CCC1CNC(=O)c1ccccc1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide?
The InChIKey is SZDACZVIAIUJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-8-13(10-19)6-7-14(12)9-18-17(21)16-5-3-2-4-15(16)11-20/h2-5,12-14,19-20H,6-11H2,1H3,(H,18,21).
What are the key properties of 2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide?
2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide is sourced from PubChem (CID 67073784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).