2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide

C17H26N2O3 — CID 113166585

IUPAC2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(CCC(C)C)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-12(2)8-9-19(14(4)20)11-17(21)18-15-10-13(3)6-7-16(15)22-5/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21)
InChIKeyFEFNAYUIQRTNQY-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.84
Rot. Bonds7

About 2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 113166585) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID113166585
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(CCC(C)C)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-12(2)8-9-19(14(4)20)11-17(21)18-15-10-13(3)6-7-16(15)22-5/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21)
InChIKeyFEFNAYUIQRTNQY-UHFFFAOYSA-N
XLogP2.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113166588
2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113160122
2-[acetyl(benzyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113161291
2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide
CID 113166544
2-[acetyl(3-methylbutyl)amino]-N-(3-methylphenyl)acetamide
CID 113166543
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147778
2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113166550
2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113160319
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113160520
2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065425
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113164557
2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113166581

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 113166585) is 2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN(CCC(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is FEFNAYUIQRTNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)8-9-19(14(4)20)11-17(21)18-15-10-13(3)6-7-16(15)22-5/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-methoxy-5-methylphenyl)acetamide?
2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.84, 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-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 113166585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).