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

C17H26N2O2 — CID 113166550

IUPAC2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)8-9-19(15(5)20)11-17(21)18-16-7-6-13(3)14(4)10-16/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21)
InChIKeyNVPRVUUFRUHMBZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.14
Rot. Bonds6

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

2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 113166550) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide
PubChem CID113166550
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)8-9-19(15(5)20)11-17(21)18-16-7-6-13(3)14(4)10-16/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21)
InChIKeyNVPRVUUFRUHMBZ-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113166573
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(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113166581
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 113161451
2-[acetyl(1-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113162035
2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113166585
N-(3,4-dimethylphenyl)-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141171
N-(3,4-dimethylphenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692795
2-(N-acetyl-2,6-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168721
N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032012

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide (CID 113166550) is 2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide is CC(=O)N(CCC(C)C)CC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is NVPRVUUFRUHMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)8-9-19(15(5)20)11-17(21)18-16-7-6-13(3)14(4)10-16/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21).
What are the key properties of 2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide?
2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.14, 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 113166550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).