N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide

C16H23NO4 — CID 115362436

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC2(CO)CCCC2)c1OC
InChIInChI=1S/C16H23NO4/c1-20-13-7-5-6-12(14(13)21-2)15(19)17-10-16(11-18)8-3-4-9-16/h5-7,18H,3-4,8-11H2,1-2H3,(H,17,19)
InChIKeyWMLQCAGTCXKBAF-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.99
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide (PubChem CID 115362436) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide
PubChem CID115362436
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC2(CO)CCCC2)c1OC
InChIInChI=1S/C16H23NO4/c1-20-13-7-5-6-12(14(13)21-2)15(19)17-10-16(11-18)8-3-4-9-16/h5-7,18H,3-4,8-11H2,1-2H3,(H,17,19)
InChIKeyWMLQCAGTCXKBAF-UHFFFAOYSA-N
XLogP1.99
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide 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

1-[[(2,3,4-trimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544364
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methoxypyridine-4-carboxamide
CID 105063923
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide
CID 95177159
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749
2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 113294004
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide
CID 115362547
3-[(2,3-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368352
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide
CID 112699709
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,3-dimethoxybenzamide
CID 27449051
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide
CID 18583783

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide (CID 115362436) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCC2(CO)CCCC2)c1OC.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide?
The InChIKey is WMLQCAGTCXKBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-13-7-5-6-12(14(13)21-2)15(19)17-10-16(11-18)8-3-4-9-16/h5-7,18H,3-4,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide has a molecular weight of 293.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 115362436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).