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

C16H23ClN2O2 — CID 113166573

IUPAC2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c1-11(2)7-8-19(13(4)20)10-16(21)18-14-6-5-12(3)15(17)9-14/h5-6,9,11H,7-8,10H2,1-4H3,(H,18,21)
InChIKeyLYIFWKROFOXGEN-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.48
Rot. Bonds6

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

2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 113166573) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID113166573
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c1-11(2)7-8-19(13(4)20)10-16(21)18-14-6-5-12(3)15(17)9-14/h5-6,9,11H,7-8,10H2,1-4H3,(H,18,21)
InChIKeyLYIFWKROFOXGEN-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113166550
2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide
CID 113166544
2-[acetyl(3-methylbutyl)amino]-N-(3-methylphenyl)acetamide
CID 113166543
2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166595
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113162790
2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113158932
2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113158934
2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113166581
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113160562
N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706053
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113168356

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide (CID 113166573) is 2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide is CC(=O)N(CCC(C)C)CC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is LYIFWKROFOXGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11(2)7-8-19(13(4)20)10-16(21)18-14-6-5-12(3)15(17)9-14/h5-6,9,11H,7-8,10H2,1-4H3,(H,18,21).
What are the key properties of 2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide?
2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 310.83 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 113166573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).