2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide

C17H16N2O2 — CID 4153463

IUPAC2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
SMILESCC(=Cc1ccccc1)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(12-14-8-4-2-5-9-14)16(20)19-17(21)18-15-10-6-3-7-11-15/h2-12H,1H3,(H2,18,19,20,21)
InChIKeyJXDKHHLHSYRIQT-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.44
Rot. Bonds3

About 2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide

2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide (PubChem CID 4153463) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
PubChem CID4153463
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
SMILESCC(=Cc1ccccc1)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(12-14-8-4-2-5-9-14)16(20)19-17(21)18-15-10-6-3-7-11-15/h2-12H,1H3,(H2,18,19,20,21)
InChIKeyJXDKHHLHSYRIQT-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide
CID 889416
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
methyl 4-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzoate
CID 2188759
(E)-2-methyl-N,3-diphenylprop-2-enethioamide
CID 13266209
N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 4119628
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
(E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide
CID 6140397
3-oxo-N-(phenylcarbamoyl)butanamide
CID 10466039
2-methyl-N-nitro-3-phenylprop-2-enamide
CID 66709876
methyl N-(phenylcarbamoyl)carbamate
CID 13097714
(E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one
CID 6394466
3-(4-anilinophenyl)-2-methylprop-2-enoic acid
CID 54444662

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide?
The IUPAC name of 2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide (CID 4153463) is 2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide?
The canonical SMILES for 2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide is CC(=Cc1ccccc1)C(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide?
The InChIKey is JXDKHHLHSYRIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13(12-14-8-4-2-5-9-14)16(20)19-17(21)18-15-10-6-3-7-11-15/h2-12H,1H3,(H2,18,19,20,21).
What are the key properties of 2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide?
2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide has a molecular weight of 280.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide is sourced from PubChem (CID 4153463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).