2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide

C16H20N2O — CID 114546508

IUPAC2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide
SMILESCC1CCC(NC(=O)C(C#N)Cc2ccccc2)C1
InChIInChI=1S/C16H20N2O/c1-12-7-8-15(9-12)18-16(19)14(11-17)10-13-5-3-2-4-6-13/h2-6,12,14-15H,7-10H2,1H3,(H,18,19)
InChIKeyNLNLIDXVUXNUOC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.67
Rot. Bonds4

About 2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide

2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide (PubChem CID 114546508) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide
PubChem CID114546508
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide
SMILESCC1CCC(NC(=O)C(C#N)Cc2ccccc2)C1
InChIInChI=1S/C16H20N2O/c1-12-7-8-15(9-12)18-16(19)14(11-17)10-13-5-3-2-4-6-13/h2-6,12,14-15H,7-10H2,1H3,(H,18,19)
InChIKeyNLNLIDXVUXNUOC-UHFFFAOYSA-N
XLogP2.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide
CID 82120555
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 62877360
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide
CID 107030989
2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 107857151
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
2-(2-hydroxyphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114546911
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2S)-2-cyano-3-phenylpropanoate
CID 6928308

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide?
The IUPAC name of 2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide (CID 114546508) is 2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide.
What is the SMILES notation for 2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide?
The canonical SMILES for 2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide is CC1CCC(NC(=O)C(C#N)Cc2ccccc2)C1.
What is the InChIKey of 2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide?
The InChIKey is NLNLIDXVUXNUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-7-8-15(9-12)18-16(19)14(11-17)10-13-5-3-2-4-6-13/h2-6,12,14-15H,7-10H2,1H3,(H,18,19).
What are the key properties of 2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide?
2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide has a molecular weight of 256.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide is sourced from PubChem (CID 114546508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).