2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide

C17H24N2O3 — CID 113166595

IUPAC2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(CCC(C)C)C(C)=O)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)9-10-19(14(4)21)11-17(22)18-16-7-5-15(6-8-16)13(3)20/h5-8,12H,9-11H2,1-4H3,(H,18,22)
InChIKeyWNJZMENJECKRCE-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.72
Rot. Bonds7

About 2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide

2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide (PubChem CID 113166595) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide
PubChem CID113166595
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(CCC(C)C)C(C)=O)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)9-10-19(14(4)21)11-17(22)18-16-7-5-15(6-8-16)13(3)20/h5-8,12H,9-11H2,1-4H3,(H,18,22)
InChIKeyWNJZMENJECKRCE-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

Analyze 2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide 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

2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide
CID 113166544
2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113166550
3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide
CID 113116053
2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113166573
2-[acetyl(3-methylbutyl)amino]-N-(3-methylphenyl)acetamide
CID 113166543
N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide
CID 113165901
methyl 4-[[2-[acetyl(2-methylpropyl)amino]acetyl]amino]benzoate
CID 113158958
N-(4-acetylphenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 113158573
N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136950
2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113166581
2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113166624
N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide
CID 62686648

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide?
The IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide (CID 113166595) is 2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide is CC(=O)c1ccc(NC(=O)CN(CCC(C)C)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide?
The InChIKey is WNJZMENJECKRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)9-10-19(14(4)21)11-17(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 2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide?
2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide 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 2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide is sourced from PubChem (CID 113166595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).