3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide

C22H27ClN2O2 — CID 113122292

IUPAC3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide
SMILESCC(=O)N(CCCc1ccccc1)CCC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-16-14-17(2)22(20(23)15-16)24-21(27)11-13-25(18(3)26)12-7-10-19-8-5-4-6-9-19/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,24,27)
InChIKeyUIFMYUXHLUXNOT-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.77
Rot. Bonds8

About 3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide

3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide (PubChem CID 113122292) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide
PubChem CID113122292
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide
SMILESCC(=O)N(CCCc1ccccc1)CCC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-16-14-17(2)22(20(23)15-16)24-21(27)11-13-25(18(3)26)12-7-10-19-8-5-4-6-9-19/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,24,27)
InChIKeyUIFMYUXHLUXNOT-UHFFFAOYSA-N
XLogP4.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)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

3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113122328
3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide
CID 113122324
N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005062
3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 113122274
3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
CID 113120818
N-[(2-chloro-4,6-dimethylphenyl)carbamothioyl]-3-phenylpropanamide
CID 19187897
3-(N-acetyl-2,4-dimethylanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113124231
3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122219
3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113129157
3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 28713525
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide (CID 113122292) is 3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide is CC(=O)N(CCCc1ccccc1)CCC(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of 3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide?
The InChIKey is UIFMYUXHLUXNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-16-14-17(2)22(20(23)15-16)24-21(27)11-13-25(18(3)26)12-7-10-19-8-5-4-6-9-19/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,24,27).
What are the key properties of 3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide?
3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide has a molecular weight of 386.92 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide is sourced from PubChem (CID 113122292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).