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

C20H24N2O2 — CID 113118207

IUPAC3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(C)cc1)Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-16-8-10-18(11-9-16)14-21-20(24)12-13-22(17(2)23)15-19-6-4-3-5-7-19/h3-11H,12-15H2,1-2H3,(H,21,24)
InChIKeyUJYORDSPONKCQT-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.05
Rot. Bonds7

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

3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 113118207) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID113118207
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(C)cc1)Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-16-8-10-18(11-9-16)14-21-20(24)12-13-22(17(2)23)15-19-6-4-3-5-7-19/h3-11H,12-15H2,1-2H3,(H,21,24)
InChIKeyUJYORDSPONKCQT-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122219
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122053
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113161771
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
CID 113118746
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113119260
5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226359
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide
CID 113119612

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide (CID 113118207) is 3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccc(C)cc1)Cc1ccccc1.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is UJYORDSPONKCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-8-10-18(11-9-16)14-21-20(24)12-13-22(17(2)23)15-19-6-4-3-5-7-19/h3-11H,12-15H2,1-2H3,(H,21,24).
What are the key properties of 3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 324.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113118207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).