2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide

C16H24N2O2 — CID 62527090

IUPAC2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2(CO)CCCC(C)C2)c1N
InChIInChI=1S/C16H24N2O2/c1-11-5-4-8-16(9-11,10-19)18-15(20)13-7-3-6-12(2)14(13)17/h3,6-7,11,19H,4-5,8-10,17H2,1-2H3,(H,18,20)
InChIKeyOFRBDRKLMILZOZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.25
Rot. Bonds3

About 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide

2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide (PubChem CID 62527090) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
PubChem CID62527090
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2(CO)CCCC(C)C2)c1N
InChIInChI=1S/C16H24N2O2/c1-11-5-4-8-16(9-11,10-19)18-15(20)13-7-3-6-12(2)14(13)17/h3,6-7,11,19H,4-5,8-10,17H2,1-2H3,(H,18,20)
InChIKeyOFRBDRKLMILZOZ-UHFFFAOYSA-N
XLogP2.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide 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

2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 81479815
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
CID 62526492
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075
2-bromo-N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 107983965
2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide
CID 81394673
2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylbenzamide
CID 106861928
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
CID 62526843
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
3-bromo-N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 114314642
4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62526326
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527563
5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62525811

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide?
The IUPAC name of 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide (CID 62527090) is 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide?
The canonical SMILES for 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide is Cc1cccc(C(=O)NC2(CO)CCCC(C)C2)c1N.
What is the InChIKey of 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide?
The InChIKey is OFRBDRKLMILZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-4-8-16(9-11,10-19)18-15(20)13-7-3-6-12(2)14(13)17/h3,6-7,11,19H,4-5,8-10,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide?
2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide is sourced from PubChem (CID 62527090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).