2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone

C16H24N2O — CID 108993428

IUPAC2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone
SMILESCc1cccc(C(C)C)c1NCC(=O)N1CCCC1
InChIInChI=1S/C16H24N2O/c1-12(2)14-8-6-7-13(3)16(14)17-11-15(19)18-9-4-5-10-18/h6-8,12,17H,4-5,9-11H2,1-3H3
InChIKeyKOBYVULJOPKRAF-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.15
Rot. Bonds4

About 2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone

2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone (PubChem CID 108993428) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone
PubChem CID108993428
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone
SMILESCc1cccc(C(C)C)c1NCC(=O)N1CCCC1
InChIInChI=1S/C16H24N2O/c1-12(2)14-8-6-7-13(3)16(14)17-11-15(19)18-9-4-5-10-18/h6-8,12,17H,4-5,9-11H2,1-3H3
InChIKeyKOBYVULJOPKRAF-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone 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-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone
CID 115909087
2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide
CID 108992863
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-6-propan-2-ylanilino)ethanone
CID 109004142
1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one
CID 109018185
2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81375206
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004698
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006911
3-methyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47195287
N-(2-methyl-6-propan-2-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170241
[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249307

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone (CID 108993428) is 2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone is Cc1cccc(C(C)C)c1NCC(=O)N1CCCC1.
What is the InChIKey of 2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone?
The InChIKey is KOBYVULJOPKRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)14-8-6-7-13(3)16(14)17-11-15(19)18-9-4-5-10-18/h6-8,12,17H,4-5,9-11H2,1-3H3.
What are the key properties of 2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone?
2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone has a molecular weight of 260.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 108993428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).