3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide

C20H23ClN2O2 — CID 113118831

IUPAC3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)Cc1ccc(C)cc1
InChIInChI=1S/C20H23ClN2O2/c1-14-4-7-17(8-5-14)13-23(16(3)24)11-10-20(25)22-18-9-6-15(2)19(21)12-18/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyHWHQSIAKBOXMDO-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.33
Rot. Bonds6

About 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide

3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide (PubChem CID 113118831) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide
PubChem CID113118831
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)Cc1ccc(C)cc1
InChIInChI=1S/C20H23ClN2O2/c1-14-4-7-17(8-5-14)13-23(16(3)24)11-10-20(25)22-18-9-6-15(2)19(21)12-18/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyHWHQSIAKBOXMDO-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113120459
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113162790
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113118858
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116811
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 113118806
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethylphenyl)propanamide
CID 113119942
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
ethyl 4-[3-[acetyl-[(4-methylphenyl)methyl]amino]propanoylamino]benzoate
CID 113118870
3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113115435
3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113127759
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123650

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide (CID 113118831) is 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)Cc1ccc(C)cc1.
What is the InChIKey of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is HWHQSIAKBOXMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14-4-7-17(8-5-14)13-23(16(3)24)11-10-20(25)22-18-9-6-15(2)19(21)12-18/h4-9,12H,10-11,13H2,1-3H3,(H,22,25).
What are the key properties of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide?
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide has a molecular weight of 358.87 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 113118831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).