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

C17H17NO — CID 142095500

IUPAC(E)-N-methyl-2,3-diphenylbut-2-enamide
SMILESCNC(=O)/C(=C(\C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-13(14-9-5-3-6-10-14)16(17(19)18-2)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,18,19)/b16-13+
InChIKeyBGDDMHBEURLAOJ-DTQAZKPQSA-N
MW251.33 g/mol
LogP3.36
Rot. Bonds3

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

(E)-N-methyl-2,3-diphenylbut-2-enamide (PubChem CID 142095500) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (E)-N-methyl-2,3-diphenylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-2,3-diphenylbut-2-enamide
PubChem CID142095500
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(E)-N-methyl-2,3-diphenylbut-2-enamide
SMILESCNC(=O)/C(=C(\C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-13(14-9-5-3-6-10-14)16(17(19)18-2)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,18,19)/b16-13+
InChIKeyBGDDMHBEURLAOJ-DTQAZKPQSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one
CID 14547201
N-methylbenzamide
CID 11954
ethyl 2,3-diphenylbut-2-enoate
CID 175493323
(2Z)-N-methyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 15371306
(Z)-3-(4-methylsulfonylphenyl)-2-phenylbut-2-enoic acid
CID 69412330
3-hydroxy-4-phenylhex-3-ene-2,5-dione
CID 76816910
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595
(Z)-2-methyl-3-phenylbut-2-enedioic acid
CID 66610285
2-methyl-3-phenylbut-2-enedioic acid
CID 54439323
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
(2E)-2-methoxyimino-N-methyl-2-phenylacetamide
CID 18413242

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-2,3-diphenylbut-2-enamide?
The IUPAC name of (E)-N-methyl-2,3-diphenylbut-2-enamide (CID 142095500) is (E)-N-methyl-2,3-diphenylbut-2-enamide.
What is the SMILES notation for (E)-N-methyl-2,3-diphenylbut-2-enamide?
The canonical SMILES for (E)-N-methyl-2,3-diphenylbut-2-enamide is CNC(=O)/C(=C(\C)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-methyl-2,3-diphenylbut-2-enamide?
The InChIKey is BGDDMHBEURLAOJ-DTQAZKPQSA-N. The full InChI is InChI=1S/C17H17NO/c1-13(14-9-5-3-6-10-14)16(17(19)18-2)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,18,19)/b16-13+.
What are the key properties of (E)-N-methyl-2,3-diphenylbut-2-enamide?
(E)-N-methyl-2,3-diphenylbut-2-enamide has a molecular weight of 251.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2,3-diphenylbut-2-enamide is sourced from PubChem (CID 142095500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).