2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide

C17H26N2O4 — CID 113166588

IUPAC2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(CCC(C)C)C(C)=O)c1
InChIInChI=1S/C17H26N2O4/c1-12(2)8-9-19(13(3)20)11-17(21)18-15-10-14(22-4)6-7-16(15)23-5/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21)
InChIKeyYTNMZFIUUPJUAS-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.54
Rot. Bonds8

About 2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide

2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 113166588) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID113166588
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(CCC(C)C)C(C)=O)c1
InChIInChI=1S/C17H26N2O4/c1-12(2)8-9-19(13(3)20)11-17(21)18-15-10-14(22-4)6-7-16(15)23-5/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21)
InChIKeyYTNMZFIUUPJUAS-UHFFFAOYSA-N
XLogP2.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113166585
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113160520
2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113166581
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113163882
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-(N-acetyl-2-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113167394
2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113166624
2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113160122
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113174146
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide
CID 113119822
2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113166550

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide (CID 113166588) is 2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN(CCC(C)C)C(C)=O)c1.
What is the InChIKey of 2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is YTNMZFIUUPJUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(2)8-9-19(13(3)20)11-17(21)18-15-10-14(22-4)6-7-16(15)23-5/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21).
What are the key properties of 2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide?
2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113166588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).