2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide

C15H23N3O2 — CID 54811338

IUPAC2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CNc1ccc(N(C)C(C)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-5-11(2)17-15(20)10-16-13-6-8-14(9-7-13)18(4)12(3)19/h6-9,11,16H,5,10H2,1-4H3,(H,17,20)
InChIKeyJKAKTHUEYMODBY-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.00
Rot. Bonds6

About 2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide

2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide (PubChem CID 54811338) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide
PubChem CID54811338
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CNc1ccc(N(C)C(C)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-5-11(2)17-15(20)10-16-13-6-8-14(9-7-13)18(4)12(3)19/h6-9,11,16H,5,10H2,1-4H3,(H,17,20)
InChIKeyJKAKTHUEYMODBY-UHFFFAOYSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[acetyl(methyl)amino]anilino]-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

N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide
CID 115927646
2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide
CID 54811252
4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834741
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
2-[4-[acetyl(methyl)amino]anilino]-N-hexadecylacetamide
CID 54811304
2-[4-[acetyl(methyl)amino]anilino]-N-(4-ethoxyphenyl)acetamide
CID 54810999
2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide
CID 60685338
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide
CID 54812602
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834231
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846430
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
CID 54811210
3-[[2-[4-(butan-2-ylcarbamoyl)anilino]acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54837059

Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide?
The IUPAC name of 2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide (CID 54811338) is 2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide is CCC(C)NC(=O)CNc1ccc(N(C)C(C)=O)cc1.
What is the InChIKey of 2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide?
The InChIKey is JKAKTHUEYMODBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-11(2)17-15(20)10-16-13-6-8-14(9-7-13)18(4)12(3)19/h6-9,11,16H,5,10H2,1-4H3,(H,17,20).
What are the key properties of 2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide?
2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide has a molecular weight of 277.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide is sourced from PubChem (CID 54811338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).