N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide

C15H21NO4 — CID 103751338

IUPACN-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCC2CO)cc1OC
InChIInChI=1S/C15H21NO4/c1-19-13-7-6-10(8-14(13)20-2)15(18)16-12-5-3-4-11(12)9-17/h6-8,11-12,17H,3-5,9H2,1-2H3,(H,16,18)
InChIKeyGUAVPDZFKVVXEG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.59
Rot. Bonds5

About N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide

N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide (PubChem CID 103751338) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
PubChem CID103751338
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCC2CO)cc1OC
InChIInChI=1S/C15H21NO4/c1-19-13-7-6-10(8-14(13)20-2)15(18)16-12-5-3-4-11(12)9-17/h6-8,11-12,17H,3-5,9H2,1-2H3,(H,16,18)
InChIKeyGUAVPDZFKVVXEG-UHFFFAOYSA-N
XLogP1.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
4-fluoro-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-3-methoxybenzamide
CID 99776479
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide
CID 113259274
N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
CID 106364492
N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide
CID 106366287
3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358670
4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide
CID 95157803
3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
CID 54538637

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide (CID 103751338) is N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CCCC2CO)cc1OC.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide?
The InChIKey is GUAVPDZFKVVXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-13-7-6-10(8-14(13)20-2)15(18)16-12-5-3-4-11(12)9-17/h6-8,11-12,17H,3-5,9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide?
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 103751338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).