(E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide

C19H19NO2 — CID 155524330

IUPAC(E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide
SMILESCCN(C)C(=O)/C=C/C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c1-3-20(2)19(22)14-13-18(21)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14H,3H2,1-2H3/b14-13+
InChIKeyZVZPBTOCKZWTJZ-BUHFOSPRSA-N
MW293.37 g/mol
LogP3.57
Rot. Bonds5

About (E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide

(E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide (PubChem CID 155524330) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide
PubChem CID155524330
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide
SMILESCCN(C)C(=O)/C=C/C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c1-3-20(2)19(22)14-13-18(21)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14H,3H2,1-2H3/b14-13+
InChIKeyZVZPBTOCKZWTJZ-BUHFOSPRSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide?
The IUPAC name of (E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide (CID 155524330) is (E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide?
The canonical SMILES for (E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide is CCN(C)C(=O)/C=C/C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide?
The InChIKey is ZVZPBTOCKZWTJZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-20(2)19(22)14-13-18(21)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14H,3H2,1-2H3/b14-13+.
What are the key properties of (E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide?
(E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide has a molecular weight of 293.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide is sourced from PubChem (CID 155524330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).