N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide

C20H23N3O3 — CID 108954449

IUPACN-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H23N3O3/c1-12-9-13(2)20(14(3)10-12)23-19(26)11-18(25)22-17-7-5-16(6-8-17)21-15(4)24/h5-10H,11H2,1-4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyNBZJPNBASGKTEA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.54
Rot. Bonds5

About N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide

N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide (PubChem CID 108954449) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
PubChem CID108954449
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H23N3O3/c1-12-9-13(2)20(14(3)10-12)23-19(26)11-18(25)22-17-7-5-16(6-8-17)21-15(4)24/h5-10H,11H2,1-4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyNBZJPNBASGKTEA-UHFFFAOYSA-N
XLogP3.54
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide 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

N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954456
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 110419509
N-(4-bromophenyl)-N'-(2-chloro-4,6-dimethylphenyl)propanediamide
CID 108955337
2-[(4-methylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51579223
N-(4-methylphenyl)-N'-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
CID 46502643
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036992
N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955345
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 31380806

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide?
The IUPAC name of N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide (CID 108954449) is N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide?
The canonical SMILES for N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide is CC(=O)Nc1ccc(NC(=O)CC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide?
The InChIKey is NBZJPNBASGKTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-9-13(2)20(14(3)10-12)23-19(26)11-18(25)22-17-7-5-16(6-8-17)21-15(4)24/h5-10H,11H2,1-4H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide?
N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide has a molecular weight of 353.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide is sourced from PubChem (CID 108954449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).