(E)-N-methyl-N,3-diphenylbut-2-enamide

C17H17NO — CID 11032331

IUPAC(E)-N-methyl-N,3-diphenylbut-2-enamide
SMILESC/C(=C\C(=O)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-14(15-9-5-3-6-10-15)13-17(19)18(2)16-11-7-4-8-12-16/h3-13H,1-2H3/b14-13+
InChIKeyXQJBMBOWOYBLOD-BUHFOSPRSA-N
MW251.33 g/mol
LogP3.75
Rot. Bonds3

About (E)-N-methyl-N,3-diphenylbut-2-enamide

(E)-N-methyl-N,3-diphenylbut-2-enamide (PubChem CID 11032331) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (E)-N-methyl-N,3-diphenylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N,3-diphenylbut-2-enamide
PubChem CID11032331
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(E)-N-methyl-N,3-diphenylbut-2-enamide
SMILESC/C(=C\C(=O)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-14(15-9-5-3-6-10-15)13-17(19)18(2)16-11-7-4-8-12-16/h3-13H,1-2H3/b14-13+
InChIKeyXQJBMBOWOYBLOD-BUHFOSPRSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-methyl-N,3-diphenylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide
CID 134920694
N-methyl-N-(3-phenylbut-2-enoyl)carbamoyl chloride
CID 173432083
(E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide
CID 166209803
4-phenylpent-3-en-2-one
CID 594380
ethane;4-phenylpent-3-en-2-one
CID 123324566
3-phenylbut-2-enoate
CID 6995278
N-methyl-N-phenylbuta-2,3-dienamide
CID 12773177
2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide
CID 5065611
(E)-N,2-dimethyl-N-phenylbut-2-enamide
CID 10867125
methyl (E)-3-phenylbut-2-enoate
CID 5354835
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N,3-diphenylbut-2-enamide?
The IUPAC name of (E)-N-methyl-N,3-diphenylbut-2-enamide (CID 11032331) is (E)-N-methyl-N,3-diphenylbut-2-enamide.
What is the SMILES notation for (E)-N-methyl-N,3-diphenylbut-2-enamide?
The canonical SMILES for (E)-N-methyl-N,3-diphenylbut-2-enamide is C/C(=C\C(=O)N(C)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-methyl-N,3-diphenylbut-2-enamide?
The InChIKey is XQJBMBOWOYBLOD-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H17NO/c1-14(15-9-5-3-6-10-15)13-17(19)18(2)16-11-7-4-8-12-16/h3-13H,1-2H3/b14-13+.
What are the key properties of (E)-N-methyl-N,3-diphenylbut-2-enamide?
(E)-N-methyl-N,3-diphenylbut-2-enamide has a molecular weight of 251.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N,3-diphenylbut-2-enamide is sourced from PubChem (CID 11032331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).