2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide

C16H23NO2 — CID 110015652

IUPAC2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide
SMILESCCC(Cc1ccccc1)NC(=O)C1CCCC1O
InChIInChI=1S/C16H23NO2/c1-2-13(11-12-7-4-3-5-8-12)17-16(19)14-9-6-10-15(14)18/h3-5,7-8,13-15,18H,2,6,9-11H2,1H3,(H,17,19)
InChIKeyRXMNWDKAGWDJRV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.28
Rot. Bonds5

About 2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide

2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide (PubChem CID 110015652) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide
PubChem CID110015652
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide
SMILESCCC(Cc1ccccc1)NC(=O)C1CCCC1O
InChIInChI=1S/C16H23NO2/c1-2-13(11-12-7-4-3-5-8-12)17-16(19)14-9-6-10-15(14)18/h3-5,7-8,13-15,18H,2,6,9-11H2,1H3,(H,17,19)
InChIKeyRXMNWDKAGWDJRV-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylbutan-2-yl)acetamide
CID 2826983
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014271
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824862
N-(1-phenylbutan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119313533
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
2-(cyclopropylmethylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766334
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
N-(2,3-diphenylpropyl)-2-hydroxycyclopentane-1-carboxamide
CID 110016113
N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016308
2-(methylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766326

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide (CID 110015652) is 2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide is CCC(Cc1ccccc1)NC(=O)C1CCCC1O.
What is the InChIKey of 2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is RXMNWDKAGWDJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-13(11-12-7-4-3-5-8-12)17-16(19)14-9-6-10-15(14)18/h3-5,7-8,13-15,18H,2,6,9-11H2,1H3,(H,17,19).
What are the key properties of 2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide?
2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 110015652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).