(E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide

C20H19NO3 — CID 138968307

IUPAC(E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide
SMILESC/C=C(\C)C(=O)N(C(=O)C(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C20H19NO3/c1-4-15(3)19(23)21(17-12-10-14(2)11-13-17)20(24)18(22)16-8-6-5-7-9-16/h4-13H,1-3H3/b15-4+
InChIKeyIDCZCPKLGPBBKS-SYZQJQIISA-N
MW321.38 g/mol
LogP3.70
Rot. Bonds4

About (E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide

(E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide (PubChem CID 138968307) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide
PubChem CID138968307
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide
SMILESC/C=C(\C)C(=O)N(C(=O)C(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C20H19NO3/c1-4-15(3)19(23)21(17-12-10-14(2)11-13-17)20(24)18(22)16-8-6-5-7-9-16/h4-13H,1-3H3/b15-4+
InChIKeyIDCZCPKLGPBBKS-SYZQJQIISA-N
XLogP3.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-phenyl N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)carbamothioate
CID 12842076
(E)-N-(benzenecarbonothioyl)-2-methyl-N-phenylbut-2-enamide
CID 14869270
2-[(4-methylphenyl)methylidene]-1-phenylbutane-1,3-dione
CID 23267679
N-(2-oxo-2-phenylacetyl)-N-phenylbenzamide
CID 11782445
N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide
CID 13213795
(E)-N,2-dimethyl-N-phenylbut-2-enamide
CID 10867125
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
benzoic acid;4-methylbenzoic acid
CID 71272637
[(Z)-1-(4-methylphenyl)-3-oxo-3-phenylprop-1-en-2-yl] acetate
CID 132576918
(2E,4Z)-2-methyl-1-phenylhexa-2,4-dien-1-one
CID 155076161
(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
CID 67427194

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide?
The IUPAC name of (E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide (CID 138968307) is (E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide?
The canonical SMILES for (E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide is C/C=C(\C)C(=O)N(C(=O)C(=O)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of (E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide?
The InChIKey is IDCZCPKLGPBBKS-SYZQJQIISA-N. The full InChI is InChI=1S/C20H19NO3/c1-4-15(3)19(23)21(17-12-10-14(2)11-13-17)20(24)18(22)16-8-6-5-7-9-16/h4-13H,1-3H3/b15-4+.
What are the key properties of (E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide?
(E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide is sourced from PubChem (CID 138968307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).