N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide

C17H23NO3 — CID 128649441

IUPACN-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1cccc(C2(C(=O)N[C@@H]3COC[C@H]3O)CCCC2)c1
InChIInChI=1S/C17H23NO3/c1-12-5-4-6-13(9-12)17(7-2-3-8-17)16(20)18-14-10-21-11-15(14)19/h4-6,9,14-15,19H,2-3,7-8,10-11H2,1H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyLHFFTXFOVJYEFF-HUUCEWRRSA-N
MW289.38 g/mol
LogP1.68
Rot. Bonds3

About N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide

N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 128649441) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
PubChem CID128649441
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1cccc(C2(C(=O)N[C@@H]3COC[C@H]3O)CCCC2)c1
InChIInChI=1S/C17H23NO3/c1-12-5-4-6-13(9-12)17(7-2-3-8-17)16(20)18-14-10-21-11-15(14)19/h4-6,9,14-15,19H,2-3,7-8,10-11H2,1H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyLHFFTXFOVJYEFF-HUUCEWRRSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 32668077
1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120598674
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)cyclobutyl]methanone
CID 79410950
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 63107346
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542569
1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide
CID 91791815
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide (CID 128649441) is N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide is Cc1cccc(C2(C(=O)N[C@@H]3COC[C@H]3O)CCCC2)c1.
What is the InChIKey of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is LHFFTXFOVJYEFF-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-5-4-6-13(9-12)17(7-2-3-8-17)16(20)18-14-10-21-11-15(14)19/h4-6,9,14-15,19H,2-3,7-8,10-11H2,1H3,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide?
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 128649441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).