2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide

C18H28N2O2 — CID 113170295

IUPAC2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C(C)=O)c1c(C)cccc1C(C)C
InChIInChI=1S/C18H28N2O2/c1-7-19(8-2)17(22)12-20(15(6)21)18-14(5)10-9-11-16(18)13(3)4/h9-11,13H,7-8,12H2,1-6H3
InChIKeyYLQVCOUGHYZSJQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.34
Rot. Bonds6

About 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide

2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide (PubChem CID 113170295) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide
PubChem CID113170295
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C(C)=O)c1c(C)cccc1C(C)C
InChIInChI=1S/C18H28N2O2/c1-7-19(8-2)17(22)12-20(15(6)21)18-14(5)10-9-11-16(18)13(3)4/h9-11,13H,7-8,12H2,1-6H3
InChIKeyYLQVCOUGHYZSJQ-UHFFFAOYSA-N
XLogP3.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide 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-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide
CID 113178595
N-(2-methyl-6-propan-2-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170241
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113170254
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113169502
2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113170355
N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108951086
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113126259
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910
2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113170289
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113126328
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide
CID 113178588
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)-N-prop-2-ynylacetamide
CID 21487534

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide?
The IUPAC name of 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide (CID 113170295) is 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide?
The canonical SMILES for 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide is CCN(CC)C(=O)CN(C(C)=O)c1c(C)cccc1C(C)C.
What is the InChIKey of 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide?
The InChIKey is YLQVCOUGHYZSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-7-19(8-2)17(22)12-20(15(6)21)18-14(5)10-9-11-16(18)13(3)4/h9-11,13H,7-8,12H2,1-6H3.
What are the key properties of 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide?
2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide has a molecular weight of 304.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide is sourced from PubChem (CID 113170295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).