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

C16H24N2O3 — CID 113166581

IUPAC2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(CCC(C)C)C(C)=O)c1
InChIInChI=1S/C16H24N2O3/c1-12(2)8-9-18(13(3)19)11-16(20)17-14-6-5-7-15(10-14)21-4/h5-7,10,12H,8-9,11H2,1-4H3,(H,17,20)
InChIKeyQXJMDEALZYKBDU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.53
Rot. Bonds7

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

2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 113166581) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
PubChem CID113166581
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(CCC(C)C)C(C)=O)c1
InChIInChI=1S/C16H24N2O3/c1-12(2)8-9-18(13(3)19)11-16(20)17-14-6-5-7-15(10-14)21-4/h5-7,10,12H,8-9,11H2,1-4H3,(H,17,20)
InChIKeyQXJMDEALZYKBDU-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122930
2-[acetyl(3-methylbutyl)amino]-N-(3-methylphenyl)acetamide
CID 113166543
2-[acetyl(3-methoxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113160118
2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113166588
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287
2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113166550
4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 120559009
2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide
CID 113166544
3-[[2-[(2-anilino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-(3-methoxybenzoyl)amino]propanoic acid
CID 20616403
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113166573
2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166595

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide (CID 113166581) is 2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(CCC(C)C)C(C)=O)c1.
What is the InChIKey of 2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is QXJMDEALZYKBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)8-9-18(13(3)19)11-16(20)17-14-6-5-7-15(10-14)21-4/h5-7,10,12H,8-9,11H2,1-4H3,(H,17,20).
What are the key properties of 2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide?
2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 2.53, 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-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 113166581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).