2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide

C16H18N2O2 — CID 47275634

IUPAC2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide
SMILESCc1cccc(NC(=O)C(C#N)C(=O)C2CCCC2)c1
InChIInChI=1S/C16H18N2O2/c1-11-5-4-8-13(9-11)18-16(20)14(10-17)15(19)12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyLMVGFBQVNKPPFN-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.83
Rot. Bonds4

About 2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide

2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide (PubChem CID 47275634) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide
PubChem CID47275634
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide
SMILESCc1cccc(NC(=O)C(C#N)C(=O)C2CCCC2)c1
InChIInChI=1S/C16H18N2O2/c1-11-5-4-8-13(9-11)18-16(20)14(10-17)15(19)12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyLMVGFBQVNKPPFN-UHFFFAOYSA-N
XLogP2.83
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide
CID 144523280
2-cyano-3-cyclopropyl-N-(4-methylphenyl)-3-oxopropanamide
CID 47275544
(2S)-2-cyano-5-methyl-N-(3-methylphenyl)-3-oxohexanamide
CID 98450088
(2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide
CID 98449969
(2S)-2-cyano-3-cyclopentyl-N-[4-(difluoromethylsulfanyl)phenyl]-3-oxopropanamide
CID 98431547
1-[cyano(cyclohexyl)methyl]-3-(3-methylphenyl)urea
CID 60969768
2-cyano-4-(3-methylphenoxy)-N-(3-methylphenyl)-3-oxobutanamide
CID 51086424
(2R)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-3-oxopropanamide
CID 98450105
2-cyano-3-(4-fluoro-3-methylsulfanylphenyl)-N-(3-methylphenyl)-3-oxopropanamide
CID 122133150
(Z,2S)-2-cyano-5-(5-methylfuran-2-yl)-N-(3-methylphenyl)-3-oxopent-4-enamide
CID 98548768
1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-methylphenyl)urea
CID 61124232
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide?
The IUPAC name of 2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide (CID 47275634) is 2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide.
What is the SMILES notation for 2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide?
The canonical SMILES for 2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide is Cc1cccc(NC(=O)C(C#N)C(=O)C2CCCC2)c1.
What is the InChIKey of 2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide?
The InChIKey is LMVGFBQVNKPPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-5-4-8-13(9-11)18-16(20)14(10-17)15(19)12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7H2,1H3,(H,18,20).
What are the key properties of 2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide?
2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide has a molecular weight of 270.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide is sourced from PubChem (CID 47275634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).