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

C18H18N2O2 — CID 7741781

IUPAC(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1
InChIInChI=1S/C18H18N2O2/c1-13-6-8-15(9-7-13)10-11-18(22)20-17-5-3-4-16(12-17)19-14(2)21/h3-12H,1-2H3,(H,19,21)(H,20,22)/b11-10+
InChIKeyWHRBBGCNXIFELL-ZHACJKMWSA-N
MW294.35 g/mol
LogP3.61
Rot. Bonds4

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

(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 7741781) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID7741781
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1
InChIInChI=1S/C18H18N2O2/c1-13-6-8-15(9-7-13)10-11-18(22)20-17-5-3-4-16(12-17)19-14(2)21/h3-12H,1-2H3,(H,19,21)(H,20,22)/b11-10+
InChIKeyWHRBBGCNXIFELL-ZHACJKMWSA-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

(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide
CID 26161245
4-tert-butyl-N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17232322
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907
(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
CID 35437293
(E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 54777118
3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 759724
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-aminophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84551872
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520708
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide (CID 7741781) is (E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide is CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1.
What is the InChIKey of (E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is WHRBBGCNXIFELL-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-6-8-15(9-7-13)10-11-18(22)20-17-5-3-4-16(12-17)19-14(2)21/h3-12H,1-2H3,(H,19,21)(H,20,22)/b11-10+.
What are the key properties of (E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(3-acetamidophenyl)-3-(4-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-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 7741781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).