(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide

C16H15NO — CID 787183

IUPAC(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H15NO/c1-13-7-10-15(11-8-13)17-16(18)12-9-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-9+
InChIKeyBZTAHBIRTCNRAW-FMIVXFBMSA-N
MW237.30 g/mol
LogP3.65
Rot. Bonds3

About (E)-N-(4-methylphenyl)-3-phenylprop-2-enamide

(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide (PubChem CID 787183) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (E)-N-(4-methylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide
PubChem CID787183
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H15NO/c1-13-7-10-15(11-8-13)17-16(18)12-9-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-9+
InChIKeyBZTAHBIRTCNRAW-FMIVXFBMSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-methylphenyl)-3-phenylprop-2-enamide (CID 787183) is (E)-N-(4-methylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-methylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-methylphenyl)-3-phenylprop-2-enamide is Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-(4-methylphenyl)-3-phenylprop-2-enamide?
The InChIKey is BZTAHBIRTCNRAW-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H15NO/c1-13-7-10-15(11-8-13)17-16(18)12-9-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-9+.
What are the key properties of (E)-N-(4-methylphenyl)-3-phenylprop-2-enamide?
(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide has a molecular weight of 237.30 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 787183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).