N-ethyl-2-oxo-4-phenylbut-3-enamide

C12H13NO2 — CID 57196794

IUPACN-ethyl-2-oxo-4-phenylbut-3-enamide
SMILESCCNC(=O)C(=O)C=Cc1ccccc1
InChIInChI=1S/C12H13NO2/c1-2-13-12(15)11(14)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,13,15)
InChIKeyVFJPCEIKPAMBAD-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.40
Rot. Bonds4

About N-ethyl-2-oxo-4-phenylbut-3-enamide

N-ethyl-2-oxo-4-phenylbut-3-enamide (PubChem CID 57196794) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-ethyl-2-oxo-4-phenylbut-3-enamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-4-phenylbut-3-enamide
PubChem CID57196794
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-ethyl-2-oxo-4-phenylbut-3-enamide
SMILESCCNC(=O)C(=O)C=Cc1ccccc1
InChIInChI=1S/C12H13NO2/c1-2-13-12(15)11(14)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,13,15)
InChIKeyVFJPCEIKPAMBAD-UHFFFAOYSA-N
XLogP1.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate
CID 70154494
(E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide
CID 70156317
(E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide
CID 174345393
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
1-ethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]thiourea
CID 6247630
N,N-diethyl-2-oxo-4-phenylbut-3-enamide
CID 57095227
ethanol;3-phenylprop-2-enoic acid
CID 158830805
(1E,4Z)-4-chloro-1-phenylhepta-1,4-dien-3-one
CID 15046066
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-N-(ethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273799

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-4-phenylbut-3-enamide?
The IUPAC name of N-ethyl-2-oxo-4-phenylbut-3-enamide (CID 57196794) is N-ethyl-2-oxo-4-phenylbut-3-enamide.
What is the SMILES notation for N-ethyl-2-oxo-4-phenylbut-3-enamide?
The canonical SMILES for N-ethyl-2-oxo-4-phenylbut-3-enamide is CCNC(=O)C(=O)C=Cc1ccccc1.
What is the InChIKey of N-ethyl-2-oxo-4-phenylbut-3-enamide?
The InChIKey is VFJPCEIKPAMBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-13-12(15)11(14)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,13,15).
What are the key properties of N-ethyl-2-oxo-4-phenylbut-3-enamide?
N-ethyl-2-oxo-4-phenylbut-3-enamide has a molecular weight of 203.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-4-phenylbut-3-enamide is sourced from PubChem (CID 57196794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).