(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide

C18H18N2O2 — CID 889416

IUPAC(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide
SMILESCC(=O)Nc1cccc(NC(=O)/C(C)=C\c2ccccc2)c1
InChIInChI=1S/C18H18N2O2/c1-13(11-15-7-4-3-5-8-15)18(22)20-17-10-6-9-16(12-17)19-14(2)21/h3-12H,1-2H3,(H,19,21)(H,20,22)/b13-11-
InChIKeyJLSTYLHMIRAAJI-QBFSEMIESA-N
MW294.35 g/mol
LogP3.69
Rot. Bonds4

About (Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide

(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide (PubChem CID 889416) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide
PubChem CID889416
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide
SMILESCC(=O)Nc1cccc(NC(=O)/C(C)=C\c2ccccc2)c1
InChIInChI=1S/C18H18N2O2/c1-13(11-15-7-4-3-5-8-15)18(22)20-17-10-6-9-16(12-17)19-14(2)21/h3-12H,1-2H3,(H,19,21)(H,20,22)/b13-11-
InChIKeyJLSTYLHMIRAAJI-QBFSEMIESA-N
XLogP3.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.69
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

N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
(E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide
CID 6140397
2-benzylidene-N-(3-methylphenyl)-3-oxobutanamide
CID 78119677
2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
CID 4153463
methyl 4-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzoate
CID 2188759
(Z)-2-acetamido-N-(3-hydroxyphenyl)-3-phenylprop-2-enamide
CID 6537620
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
(E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide
CID 110616348
N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
CID 108903270
(E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 110618434
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 99907772

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide (CID 889416) is (Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide is CC(=O)Nc1cccc(NC(=O)/C(C)=C\c2ccccc2)c1.
What is the InChIKey of (Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide?
The InChIKey is JLSTYLHMIRAAJI-QBFSEMIESA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13(11-15-7-4-3-5-8-15)18(22)20-17-10-6-9-16(12-17)19-14(2)21/h3-12H,1-2H3,(H,19,21)(H,20,22)/b13-11-.
What are the key properties of (Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide?
(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide has a molecular weight of 294.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 889416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).