N-(3,4-dimethylphenyl)-3-phenylpropanamide

C17H19NO — CID 809036

IUPACN-(3,4-dimethylphenyl)-3-phenylpropanamide
SMILESCc1ccc(NC(=O)CCc2ccccc2)cc1C
InChIInChI=1S/C17H19NO/c1-13-8-10-16(12-14(13)2)18-17(19)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,18,19)
InChIKeyLTVKNTJTQMMWME-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.87
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-phenylpropanamide

N-(3,4-dimethylphenyl)-3-phenylpropanamide (PubChem CID 809036) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-phenylpropanamide
PubChem CID809036
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-(3,4-dimethylphenyl)-3-phenylpropanamide
SMILESCc1ccc(NC(=O)CCc2ccccc2)cc1C
InChIInChI=1S/C17H19NO/c1-13-8-10-16(12-14(13)2)18-17(19)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,18,19)
InChIKeyLTVKNTJTQMMWME-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,4-dimethylphenyl)-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-phenylpropanamide (CID 809036) is N-(3,4-dimethylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-phenylpropanamide is Cc1ccc(NC(=O)CCc2ccccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-phenylpropanamide?
The InChIKey is LTVKNTJTQMMWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-8-10-16(12-14(13)2)18-17(19)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,18,19).
What are the key properties of N-(3,4-dimethylphenyl)-3-phenylpropanamide?
N-(3,4-dimethylphenyl)-3-phenylpropanamide has a molecular weight of 253.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 809036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).