2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide

C17H26N2O2 — CID 113169089

IUPAC2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide
SMILESCCc1ccccc1N(CC(=O)NCCC(C)C)C(C)=O
InChIInChI=1S/C17H26N2O2/c1-5-15-8-6-7-9-16(15)19(14(4)20)12-17(21)18-11-10-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,18,21)
InChIKeyVIIUEWGDJSFNLD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.76
Rot. Bonds7

About 2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide

2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide (PubChem CID 113169089) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide
PubChem CID113169089
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide
SMILESCCc1ccccc1N(CC(=O)NCCC(C)C)C(C)=O
InChIInChI=1S/C17H26N2O2/c1-5-15-8-6-7-9-16(15)19(14(4)20)12-17(21)18-11-10-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,18,21)
InChIKeyVIIUEWGDJSFNLD-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide
CID 113177811
methyl 2-[acetyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]benzoate
CID 113176098
2-(N-acetyl-2-ethylanilino)-N-(2-methoxyethyl)acetamide
CID 113169024
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylbutyl)acetamide
CID 113181280
2-(N-acetyl-2-ethylanilino)-N-phenylacetamide
CID 113169100
2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169052
2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113169023
3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide
CID 113125720
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316
2-[(2-aminophenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 61486734
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 113172837
2-(N-acetyl-2-ethylanilino)-N-(2-methylphenyl)acetamide
CID 113169101

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide (CID 113169089) is 2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide is CCc1ccccc1N(CC(=O)NCCC(C)C)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is VIIUEWGDJSFNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-15-8-6-7-9-16(15)19(14(4)20)12-17(21)18-11-10-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,18,21).
What are the key properties of 2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide?
2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113169089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).