2-(3,4-dimethylphenyl)prop-2-enamide

C11H13NO — CID 69495371

IUPAC2-(3,4-dimethylphenyl)prop-2-enamide
SMILESC=C(C(N)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C11H13NO/c1-7-4-5-10(6-8(7)2)9(3)11(12)13/h4-6H,3H2,1-2H3,(H2,12,13)
InChIKeyQBHXKJPZNSXBIJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.80
Rot. Bonds2

About 2-(3,4-dimethylphenyl)prop-2-enamide

2-(3,4-dimethylphenyl)prop-2-enamide (PubChem CID 69495371) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)prop-2-enamide
PubChem CID69495371
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(3,4-dimethylphenyl)prop-2-enamide
SMILESC=C(C(N)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C11H13NO/c1-7-4-5-10(6-8(7)2)9(3)11(12)13/h4-6H,3H2,1-2H3,(H2,12,13)
InChIKeyQBHXKJPZNSXBIJ-UHFFFAOYSA-N
XLogP1.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethylphenyl)prop-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

3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane
CID 159802984
3,4-dimethylbenzoyl chloride;methane
CID 155746404
(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43337407
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
2-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 68886270
N-(diaminomethyl)-3,4-dimethylbenzamide
CID 154522714
(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 19616589
chloro 3,4-dimethylbenzoate
CID 174727966
1-(3-fluoro-4-methylphenyl)ethenamine
CID 129060192
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
1-(3,4-dimethylphenyl)-2-sulfanylethanone
CID 82125292
2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide
CID 174372485

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)prop-2-enamide?
The IUPAC name of 2-(3,4-dimethylphenyl)prop-2-enamide (CID 69495371) is 2-(3,4-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)prop-2-enamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)prop-2-enamide is C=C(C(N)=O)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)prop-2-enamide?
The InChIKey is QBHXKJPZNSXBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-4-5-10(6-8(7)2)9(3)11(12)13/h4-6H,3H2,1-2H3,(H2,12,13).
What are the key properties of 2-(3,4-dimethylphenyl)prop-2-enamide?
2-(3,4-dimethylphenyl)prop-2-enamide has a molecular weight of 175.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 69495371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).