N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide

C21H27NO — CID 4681901

IUPACN-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C21H27NO/c1-14(2)12-18-8-10-19(11-9-18)17(5)21(23)22-20-13-15(3)6-7-16(20)4/h6-11,13-14,17H,12H2,1-5H3,(H,22,23)
InChIKeyYQZHBOMYOVXHLA-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.24
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide

N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 4681901) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID4681901
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C21H27NO/c1-14(2)12-18-8-10-19(11-9-18)17(5)21(23)22-20-13-15(3)6-7-16(20)4/h6-11,13-14,17H,12H2,1-5H3,(H,22,23)
InChIKeyYQZHBOMYOVXHLA-UHFFFAOYSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide 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

(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228302
(2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 7313981
N-(2-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 14456233
N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782347
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
N-(3-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 5183452
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228333
(2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 837870
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (CID 4681901) is N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is Cc1ccc(C)c(NC(=O)C(C)c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is YQZHBOMYOVXHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-14(2)12-18-8-10-19(11-9-18)17(5)21(23)22-20-13-15(3)6-7-16(20)4/h6-11,13-14,17H,12H2,1-5H3,(H,22,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 309.45 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 4681901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).