(E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide

C18H17NO2 — CID 15692303

IUPAC(E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide
SMILESCc1ccc(C(=O)/C=C/C(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C18H17NO2/c1-13-8-9-15(12-14(13)2)17(20)10-11-18(21)19-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,19,21)/b11-10+
InChIKeyXSNSHHOUSPIDIT-ZHACJKMWSA-N
MW279.34 g/mol
LogP3.68
Rot. Bonds4

About (E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide

(E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide (PubChem CID 15692303) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide
PubChem CID15692303
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide
SMILESCc1ccc(C(=O)/C=C/C(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C18H17NO2/c1-13-8-9-15(12-14(13)2)17(20)10-11-18(21)19-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,19,21)/b11-10+
InChIKeyXSNSHHOUSPIDIT-ZHACJKMWSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ameltolide
CID 13086
Ar-42
CID 6918848
Benodanil
CID 27195
2-Phenylamino-1,4-naphthoquinone
CID 81124
Benzanilide
CID 7168
N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)benzamide
CID 570342
N-(9-oxo-9H-fluoren-2-yl)acetamide
CID 18355
N-(9,10-Dihydro-9,10-dioxo-2-phenanthrenyl)-2,2-dimethyl-propanamide
CID 9926586
Q182 4-Anilino-1,2-naphthoquinone
CID 344131
4'-Methylbenzanilide
CID 68497
Benzamide, N-(1-naphthyl)-4-methyl-
CID 531834
(2S,5R)-N-(4-(2-amino-2-oxoethyl)phenyl)-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide
CID 67096018

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide?
The IUPAC name of (E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide (CID 15692303) is (E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide.
What is the SMILES notation for (E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide?
The canonical SMILES for (E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide is Cc1ccc(C(=O)/C=C/C(=O)Nc2ccccc2)cc1C.
What is the InChIKey of (E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide?
The InChIKey is XSNSHHOUSPIDIT-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-8-9-15(12-14(13)2)17(20)10-11-18(21)19-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,19,21)/b11-10+.
What are the key properties of (E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide?
(E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide has a molecular weight of 279.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3,4-dimethylphenyl)-4-oxo-N-phenylbut-2-enamide is sourced from PubChem (CID 15692303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).