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

C16H24N2O2 — CID 113166544

IUPAC2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)9-10-18(14(4)19)11-16(20)17-15-7-5-13(3)6-8-15/h5-8,12H,9-11H2,1-4H3,(H,17,20)
InChIKeyFCSNRICUELAWSA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.83
Rot. Bonds6

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

2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 113166544) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID113166544
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)9-10-18(14(4)19)11-16(20)17-15-7-5-13(3)6-8-15/h5-8,12H,9-11H2,1-4H3,(H,17,20)
InChIKeyFCSNRICUELAWSA-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166595
2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113166550
2-[acetyl(3-methylbutyl)amino]-N-(3-methylphenyl)acetamide
CID 113166543
2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113166573
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704
2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113166585
2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113166581
2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 111496814
methyl 4-[[2-[acetyl(2-methylpropyl)amino]acetyl]amino]benzoate
CID 113158958
2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113166624
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164552
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164708

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide (CID 113166544) is 2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide is CC(=O)N(CCC(C)C)CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is FCSNRICUELAWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)9-10-18(14(4)19)11-16(20)17-15-7-5-13(3)6-8-15/h5-8,12H,9-11H2,1-4H3,(H,17,20).
What are the key properties of 2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide?
2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.83, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 113166544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).