1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide

C16H20N2O2 — CID 63264607

IUPAC1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NC(CO)Cc2ccccc2)CCCC1
InChIInChI=1S/C16H20N2O2/c17-12-16(8-4-5-9-16)15(20)18-14(11-19)10-13-6-2-1-3-7-13/h1-3,6-7,14,19H,4-5,8-11H2,(H,18,20)
InChIKeyUMEHBUCNVFKRGV-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.79
Rot. Bonds5

About 1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide

1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide (PubChem CID 63264607) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide
PubChem CID63264607
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NC(CO)Cc2ccccc2)CCCC1
InChIInChI=1S/C16H20N2O2/c17-12-16(8-4-5-9-16)15(20)18-14(11-19)10-13-6-2-1-3-7-13/h1-3,6-7,14,19H,4-5,8-11H2,(H,18,20)
InChIKeyUMEHBUCNVFKRGV-UHFFFAOYSA-N
XLogP1.79
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide
CID 80592453
1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide
CID 102677400
1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 107860983
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107863134
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449
2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide
CID 24746259
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 107863123
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 11682031
2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 55168822
4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide
CID 115439571
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide (CID 63264607) is 1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide is N#CC1(C(=O)NC(CO)Cc2ccccc2)CCCC1.
What is the InChIKey of 1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is UMEHBUCNVFKRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-12-16(8-4-5-9-16)15(20)18-14(11-19)10-13-6-2-1-3-7-13/h1-3,6-7,14,19H,4-5,8-11H2,(H,18,20).
What are the key properties of 1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide?
1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 63264607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).