2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide

C15H16N2O2 — CID 76888162

IUPAC2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide
SMILESCCCNC(=O)C(C#N)C(=O)C=Cc1ccccc1
InChIInChI=1S/C15H16N2O2/c1-2-10-17-15(19)13(11-16)14(18)9-8-12-6-4-3-5-7-12/h3-9,13H,2,10H2,1H3,(H,17,19)
InChIKeyMDRVJIHWJMVWTB-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.93
Rot. Bonds6

About 2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide

2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide (PubChem CID 76888162) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide.

Molecular Properties

Compound Name2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide
PubChem CID76888162
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide
SMILESCCCNC(=O)C(C#N)C(=O)C=Cc1ccccc1
InChIInChI=1S/C15H16N2O2/c1-2-10-17-15(19)13(11-16)14(18)9-8-12-6-4-3-5-7-12/h3-9,13H,2,10H2,1H3,(H,17,19)
InChIKeyMDRVJIHWJMVWTB-UHFFFAOYSA-N
XLogP1.93
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide
CID 98548775
2-chloro-3-oxo-5-phenylpent-4-enenitrile
CID 176654493
(E)-5-(3-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide
CID 56796628
(Z,2S)-2-cyano-N-methyl-3-oxo-5-(3-propan-2-yloxyphenyl)pent-4-enamide
CID 98510062
1-[(E)-2-phenylethenyl]-3-propylurea
CID 108903089
(E)-N-benzyl-2-cyano-5-(5-methylfuran-2-yl)-3-oxopent-4-enamide
CID 47052883
(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide
CID 177400804
(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide
CID 7972275
(E,4S)-4-hydroxy-1-phenyloct-1-en-3-one
CID 100976642
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide
CID 155277984
2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide
CID 60501413
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide?
The IUPAC name of 2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide (CID 76888162) is 2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide.
What is the SMILES notation for 2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide?
The canonical SMILES for 2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide is CCCNC(=O)C(C#N)C(=O)C=Cc1ccccc1.
What is the InChIKey of 2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide?
The InChIKey is MDRVJIHWJMVWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-10-17-15(19)13(11-16)14(18)9-8-12-6-4-3-5-7-12/h3-9,13H,2,10H2,1H3,(H,17,19).
What are the key properties of 2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide?
2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide has a molecular weight of 256.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide is sourced from PubChem (CID 76888162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).