(E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide

C13H14N2O3 — CID 70156317

IUPAC(E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide
SMILESCNC(=O)CNC(=O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H14N2O3/c1-14-12(17)9-15-13(18)11(16)8-7-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,17)(H,15,18)/b8-7+
InChIKeySJNBKXUMUGUDMG-BQYQJAHWSA-N
MW246.27 g/mol
LogP0.13
Rot. Bonds5

About (E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide

(E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide (PubChem CID 70156317) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide
PubChem CID70156317
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide
SMILESCNC(=O)CNC(=O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H14N2O3/c1-14-12(17)9-15-13(18)11(16)8-7-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,17)(H,15,18)/b8-7+
InChIKeySJNBKXUMUGUDMG-BQYQJAHWSA-N
XLogP0.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
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

N-ethyl-2-oxo-4-phenylbut-3-enamide
CID 57196794
(E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide
CID 174345393
2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate
CID 70154494
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-oxo-4-phenylbut-3-enamide
CID 77225367
(E)-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-oxo-4-phenylbut-3-enamide
CID 67097750
(E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide
CID 70158495
(2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide
CID 155299076
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
2-anilino-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 60671281
(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide
CID 9442241

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide?
The IUPAC name of (E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide (CID 70156317) is (E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide.
What is the SMILES notation for (E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide?
The canonical SMILES for (E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide is CNC(=O)CNC(=O)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide?
The InChIKey is SJNBKXUMUGUDMG-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-14-12(17)9-15-13(18)11(16)8-7-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,17)(H,15,18)/b8-7+.
What are the key properties of (E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide?
(E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide has a molecular weight of 246.27 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide is sourced from PubChem (CID 70156317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).