N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide

C14H19NO2 — CID 113415137

IUPACN-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C14H19NO2/c1-10-4-2-7-13(10)14(17)15-12-6-3-5-11(8-12)9-16/h3,5-6,8,10,13,16H,2,4,7,9H2,1H3,(H,15,17)
InChIKeyQIXFTAVSVRSGMQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.55
Rot. Bonds3

About N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide

N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide (PubChem CID 113415137) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide
PubChem CID113415137
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C14H19NO2/c1-10-4-2-7-13(10)14(17)15-12-6-3-5-11(8-12)9-16/h3,5-6,8,10,13,16H,2,4,7,9H2,1H3,(H,15,17)
InChIKeyQIXFTAVSVRSGMQ-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-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

Related Compounds

N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759466
cis-(1R,2S)-2-[(3-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 844851
2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978190
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181380
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide
CID 114240858
5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102687982
N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide
CID 107176074
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide
CID 107181332
2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852810
N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97249076
N-[3-(hydroxymethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 111116064

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide (CID 113415137) is N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)Nc1cccc(CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is QIXFTAVSVRSGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-4-2-7-13(10)14(17)15-12-6-3-5-11(8-12)9-16/h3,5-6,8,10,13,16H,2,4,7,9H2,1H3,(H,15,17).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide?
N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 113415137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).