3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide

C17H24N2O3 — CID 113116053

IUPAC3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(CC(C)C)C(C)=O)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)11-19(14(4)21)10-9-17(22)18-16-7-5-15(6-8-16)13(3)20/h5-8,12H,9-11H2,1-4H3,(H,18,22)
InChIKeyJUDBVJHQGCLGAM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.72
Rot. Bonds7

About 3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide

3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide (PubChem CID 113116053) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide
PubChem CID113116053
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(CC(C)C)C(C)=O)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)11-19(14(4)21)10-9-17(22)18-16-7-5-15(6-8-16)13(3)20/h5-8,12H,9-11H2,1-4H3,(H,18,22)
InChIKeyJUDBVJHQGCLGAM-UHFFFAOYSA-N
XLogP2.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166595
N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136950
3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113116063
N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120287
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
CID 113119196
methyl 4-[[2-[acetyl(2-methylpropyl)amino]acetyl]amino]benzoate
CID 113158958
3-[acetyl(2-methylpropyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116007
3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113116006
3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113116082
N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 109031834
3-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113116105
N-(4-acetylphenyl)-5-aminohexanamide
CID 82852023

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide?
The IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide (CID 113116053) is 3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide is CC(=O)c1ccc(NC(=O)CCN(CC(C)C)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide?
The InChIKey is JUDBVJHQGCLGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)11-19(14(4)21)10-9-17(22)18-16-7-5-15(6-8-16)13(3)20/h5-8,12H,9-11H2,1-4H3,(H,18,22).
What are the key properties of 3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide?
3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide is sourced from PubChem (CID 113116053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).