3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide

C20H23ClN2O2 — CID 113119484

IUPAC3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)cc(C)c1)Cc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-14-10-15(2)12-18(11-14)22-20(25)8-9-23(16(3)24)13-17-6-4-5-7-19(17)21/h4-7,10-12H,8-9,13H2,1-3H3,(H,22,25)
InChIKeyKNKSWPQZOBQNJJ-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.33
Rot. Bonds6

About 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide

3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide (PubChem CID 113119484) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
PubChem CID113119484
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)cc(C)c1)Cc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-14-10-15(2)12-18(11-14)22-20(25)8-9-23(16(3)24)13-17-6-4-5-7-19(17)21/h4-7,10-12H,8-9,13H2,1-3H3,(H,22,25)
InChIKeyKNKSWPQZOBQNJJ-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-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113119787
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 113119482
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113119485
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119498
3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
CID 113120818
3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide
CID 109021533
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113122084
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
4-[acetyl-[(2-chlorophenyl)methyl]amino]butanoic acid
CID 39369198
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113162643
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113118703
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113119796

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide (CID 113119484) is 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cc(C)cc(C)c1)Cc1ccccc1Cl.
What is the InChIKey of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is KNKSWPQZOBQNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14-10-15(2)12-18(11-14)22-20(25)8-9-23(16(3)24)13-17-6-4-5-7-19(17)21/h4-7,10-12H,8-9,13H2,1-3H3,(H,22,25).
What are the key properties of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide?
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)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-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113119484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).