2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide

C17H26N2O3 — CID 113174353

IUPAC2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(C(C)=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-6-13(4)18-17(21)11-19(14(5)20)15-7-9-16(10-8-15)22-12(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,18,21)
InChIKeyNQSQEUQDTIGTCU-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.74
Rot. Bonds7

About 2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide

2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide (PubChem CID 113174353) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide
PubChem CID113174353
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(C(C)=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-6-13(4)18-17(21)11-19(14(5)20)15-7-9-16(10-8-15)22-12(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,18,21)
InChIKeyNQSQEUQDTIGTCU-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide
CID 113176823
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide
CID 113174433
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide
CID 113174445
2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113171603
2-(N-acetyl-4-methoxyanilino)-N-propan-2-ylacetamide
CID 113173486
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 113174500
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113174436
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide
CID 113178218
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174499
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113174441
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
N-[2-(ethylsulfonylamino)ethyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113061132

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide?
The IUPAC name of 2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide (CID 113174353) is 2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide is CCC(C)NC(=O)CN(C(C)=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide?
The InChIKey is NQSQEUQDTIGTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-6-13(4)18-17(21)11-19(14(5)20)15-7-9-16(10-8-15)22-12(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,18,21).
What are the key properties of 2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide?
2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide has a molecular weight of 306.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide is sourced from PubChem (CID 113174353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).