(E)-4-oxo-N,4-diphenylbut-2-enamide

C16H13NO2 — CID 12588042

IUPAC(E)-4-oxo-N,4-diphenylbut-2-enamide
SMILESO=C(/C=C/C(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H13NO2/c18-15(13-7-3-1-4-8-13)11-12-16(19)17-14-9-5-2-6-10-14/h1-12H,(H,17,19)/b12-11+
InChIKeyWZSDQUTUJMGEAI-VAWYXSNFSA-N
MW251.29 g/mol
LogP3.06
Rot. Bonds4

About (E)-4-oxo-N,4-diphenylbut-2-enamide

(E)-4-oxo-N,4-diphenylbut-2-enamide (PubChem CID 12588042) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (E)-4-oxo-N,4-diphenylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-oxo-N,4-diphenylbut-2-enamide
PubChem CID12588042
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name(E)-4-oxo-N,4-diphenylbut-2-enamide
SMILESO=C(/C=C/C(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H13NO2/c18-15(13-7-3-1-4-8-13)11-12-16(19)17-14-9-5-2-6-10-14/h1-12H,(H,17,19)/b12-11+
InChIKeyWZSDQUTUJMGEAI-VAWYXSNFSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide
CID 71654019
(E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide
CID 19972048
(Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum
CID 175590215
CID 162324012
CID 162324012
(Z)-4-oxo-4-[4-[(E)-3-phenylprop-2-enoyl]anilino]but-2-enoic acid
CID 11099271
(E)-4-(4-benzoylanilino)-4-oxobut-2-enoic acid
CID 707781
(Z)-N-phenylbut-2-enamide
CID 59909226
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
(2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide
CID 59467578
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
4-(dimethylamino)-N-phenylbut-2-enamide
CID 72514761

Frequently Asked Questions

What is the IUPAC name of (E)-4-oxo-N,4-diphenylbut-2-enamide?
The IUPAC name of (E)-4-oxo-N,4-diphenylbut-2-enamide (CID 12588042) is (E)-4-oxo-N,4-diphenylbut-2-enamide.
What is the SMILES notation for (E)-4-oxo-N,4-diphenylbut-2-enamide?
The canonical SMILES for (E)-4-oxo-N,4-diphenylbut-2-enamide is O=C(/C=C/C(=O)c1ccccc1)Nc1ccccc1.
What is the InChIKey of (E)-4-oxo-N,4-diphenylbut-2-enamide?
The InChIKey is WZSDQUTUJMGEAI-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H13NO2/c18-15(13-7-3-1-4-8-13)11-12-16(19)17-14-9-5-2-6-10-14/h1-12H,(H,17,19)/b12-11+.
What are the key properties of (E)-4-oxo-N,4-diphenylbut-2-enamide?
(E)-4-oxo-N,4-diphenylbut-2-enamide has a molecular weight of 251.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-oxo-N,4-diphenylbut-2-enamide is sourced from PubChem (CID 12588042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).