(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide

C18H18N2O2 — CID 26908907

IUPAC(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(NC(=O)/C=C/c2cccc(C)c2)cc1
InChIInChI=1S/C18H18N2O2/c1-13-4-3-5-15(12-13)6-11-18(22)20-17-9-7-16(8-10-17)19-14(2)21/h3-12H,1-2H3,(H,19,21)(H,20,22)/b11-6+
InChIKeyFBVCCUOFSWJFCE-IZZDOVSWSA-N
MW294.35 g/mol
LogP3.61
Rot. Bonds4

About (E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide

(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide (PubChem CID 26908907) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
PubChem CID26908907
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(NC(=O)/C=C/c2cccc(C)c2)cc1
InChIInChI=1S/C18H18N2O2/c1-13-4-3-5-15(12-13)6-11-18(22)20-17-9-7-16(8-10-17)19-14(2)21/h3-12H,1-2H3,(H,19,21)(H,20,22)/b11-6+
InChIKeyFBVCCUOFSWJFCE-IZZDOVSWSA-N
XLogP3.61
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 ≤ 53.61
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)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide
CID 78773493
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 35334560
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 26863375
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
CID 35437293
(E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 126478080
N,N-dimethyl-3-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]benzamide
CID 33159074
(E)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-methylphenyl)prop-2-enamide
CID 26712317
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 39735032
(E)-3-(3-methylphenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide
CID 46457220

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide (CID 26908907) is (E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide is CC(=O)Nc1ccc(NC(=O)/C=C/c2cccc(C)c2)cc1.
What is the InChIKey of (E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is FBVCCUOFSWJFCE-IZZDOVSWSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-4-3-5-15(12-13)6-11-18(22)20-17-9-7-16(8-10-17)19-14(2)21/h3-12H,1-2H3,(H,19,21)(H,20,22)/b11-6+.
What are the key properties of (E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide?
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 294.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 26908907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).