N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide

C16H23NO3 — CID 62527012

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(CO)CCCC(C)C2)cc1
InChIInChI=1S/C16H23NO3/c1-12-4-3-9-16(10-12,11-18)17-15(19)13-5-7-14(20-2)8-6-13/h5-8,12,18H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyQUDRQLWTBJHVAB-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.37
Rot. Bonds4

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide (PubChem CID 62527012) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide
PubChem CID62527012
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(CO)CCCC(C)C2)cc1
InChIInChI=1S/C16H23NO3/c1-12-4-3-9-16(10-12,11-18)17-15(19)13-5-7-14(20-2)8-6-13/h5-8,12,18H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyQUDRQLWTBJHVAB-UHFFFAOYSA-N
XLogP2.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide 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-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
CID 62525635
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075
2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide
CID 81394673
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenoxy)acetamide
CID 62527385
6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide
CID 62526158
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
CID 62526843
3-ethyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527564
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 80641116
2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide
CID 62525984
5-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527720

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide (CID 62527012) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide is COc1ccc(C(=O)NC2(CO)CCCC(C)C2)cc1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide?
The InChIKey is QUDRQLWTBJHVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-4-3-9-16(10-12,11-18)17-15(19)13-5-7-14(20-2)8-6-13/h5-8,12,18H,3-4,9-11H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide has a molecular weight of 277.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide is sourced from PubChem (CID 62527012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).