3-methyl-4-phenylbut-3-enamide

C11H13NO — CID 23660

💊View drug profile → benzalamide
IUPAC3-methyl-4-phenylbut-3-enamide
SMILESCC(=Cc1ccccc1)CC(N)=O
InChIInChI=1S/C11H13NO/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13)
InChIKeyKAJZGRFYZKWYDX-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.97
Rot. Bonds3

About 3-methyl-4-phenylbut-3-enamide

3-methyl-4-phenylbut-3-enamide (PubChem CID 23660) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-methyl-4-phenylbut-3-enamide.

Molecular Properties

Compound Name3-methyl-4-phenylbut-3-enamide
PubChem CID23660
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-methyl-4-phenylbut-3-enamide
SMILESCC(=Cc1ccccc1)CC(N)=O
InChIInChI=1S/C11H13NO/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13)
InChIKeyKAJZGRFYZKWYDX-UHFFFAOYSA-N
XLogP1.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-4-phenylbut-3-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

2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
CID 69252913
5-methyl-6-phenylhex-5-en-3-one
CID 71411119
3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
CID 115875443
2-benzylidenebutanediamide
CID 141083330
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
2-methyl-1-phenyloct-1-en-4-one
CID 71411118
(Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide
CID 71195629
5-methyl-2-methylidene-6-phenylhex-5-enoic acid
CID 67161387
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
(E)-2-cyano-4-methyl-5-phenylpent-4-enamide
CID 57397722
(E)-2,4-dimethyl-5-phenylpent-4-enal
CID 58390606
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenylbut-3-enamide?
The IUPAC name of 3-methyl-4-phenylbut-3-enamide (CID 23660) is 3-methyl-4-phenylbut-3-enamide.
What is the SMILES notation for 3-methyl-4-phenylbut-3-enamide?
The canonical SMILES for 3-methyl-4-phenylbut-3-enamide is CC(=Cc1ccccc1)CC(N)=O.
What is the InChIKey of 3-methyl-4-phenylbut-3-enamide?
The InChIKey is KAJZGRFYZKWYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13).
What are the key properties of 3-methyl-4-phenylbut-3-enamide?
3-methyl-4-phenylbut-3-enamide has a molecular weight of 175.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylbut-3-enamide is sourced from PubChem (CID 23660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).