2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide

C17H25NO3 — CID 110013851

IUPAC2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCCC2O)C(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-11(2)16(12-7-9-13(21-3)10-8-12)18-17(20)14-5-4-6-15(14)19/h7-11,14-16,19H,4-6H2,1-3H3,(H,18,20)
InChIKeyXPUYPYCDOHBIHC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.67
Rot. Bonds5

About 2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide

2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide (PubChem CID 110013851) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide
PubChem CID110013851
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCCC2O)C(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-11(2)16(12-7-9-13(21-3)10-8-12)18-17(20)14-5-4-6-15(14)19/h7-11,14-16,19H,4-6H2,1-3H3,(H,18,20)
InChIKeyXPUYPYCDOHBIHC-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
CID 110016521
cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide
CID 124825504
N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 119273380
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81363570
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119693481
2-amino-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197001
2-(4-hydroxypiperidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 41335963
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119693475
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 40938970

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide (CID 110013851) is 2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide is COc1ccc(C(NC(=O)C2CCCC2O)C(C)C)cc1.
What is the InChIKey of 2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide?
The InChIKey is XPUYPYCDOHBIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)16(12-7-9-13(21-3)10-8-12)18-17(20)14-5-4-6-15(14)19/h7-11,14-16,19H,4-6H2,1-3H3,(H,18,20).
What are the key properties of 2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide?
2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110013851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).