N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide

C15H21NO3 — CID 62516961

IUPACN-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC2(CO)CCCC2)ccc1C
InChIInChI=1S/C15H21NO3/c1-11-5-6-12(9-13(11)19-2)14(18)16-15(10-17)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyOWRWYYLJZKCDLB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.04
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide

N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide (PubChem CID 62516961) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
PubChem CID62516961
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC2(CO)CCCC2)ccc1C
InChIInChI=1S/C15H21NO3/c1-11-5-6-12(9-13(11)19-2)14(18)16-15(10-17)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyOWRWYYLJZKCDLB-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide
CID 115970064
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158397
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 89028285
N-[1-(hydroxymethyl)cyclopentyl]-4-methoxy-3-pyridin-2-ylbenzamide
CID 110008383
N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxy-4-methylbenzamide
CID 114315089
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide
CID 114751787
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide
CID 104782857
N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 115764584
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide (CID 62516961) is N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NC2(CO)CCCC2)ccc1C.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide?
The InChIKey is OWRWYYLJZKCDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-5-6-12(9-13(11)19-2)14(18)16-15(10-17)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide?
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 62516961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).