N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

C17H23NO3 — CID 62517882

IUPACN-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Oc2c(C(=O)NC3(CO)CCCC3)cccc2C1C
InChIInChI=1S/C17H23NO3/c1-11-12(2)21-15-13(11)6-5-7-14(15)16(20)18-17(10-19)8-3-4-9-17/h5-7,11-12,19H,3-4,8-10H2,1-2H3,(H,18,20)
InChIKeyLQMLHOIQEBAEPL-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.61
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 62517882) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID62517882
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Oc2c(C(=O)NC3(CO)CCCC3)cccc2C1C
InChIInChI=1S/C17H23NO3/c1-11-12(2)21-15-13(11)6-5-7-14(15)16(20)18-17(10-19)8-3-4-9-17/h5-7,11-12,19H,3-4,8-10H2,1-2H3,(H,18,20)
InChIKeyLQMLHOIQEBAEPL-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18227470
N-(2-hydroxyethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 43393629
(2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 30824030
N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 107300275
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718
N-[1-(aminomethyl)cyclopentyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
CID 119568491
N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 103877084
N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide
CID 63108494
N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide
CID 113344829
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62526979
2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 81479815
2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62519426

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 62517882) is N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is CC1Oc2c(C(=O)NC3(CO)CCCC3)cccc2C1C.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is LQMLHOIQEBAEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11-12(2)21-15-13(11)6-5-7-14(15)16(20)18-17(10-19)8-3-4-9-17/h5-7,11-12,19H,3-4,8-10H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 62517882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).