2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone

C19H28N2O — CID 175083337

IUPAC2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(NC(C(=O)N2CCCC2)C2CCCCC2)cc1
InChIInChI=1S/C19H28N2O/c1-15-9-11-17(12-10-15)20-18(16-7-3-2-4-8-16)19(22)21-13-5-6-14-21/h9-12,16,18,20H,2-8,13-14H2,1H3
InChIKeyMVYAYBVXVPGRDQ-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.98
Rot. Bonds4

About 2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone

2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone (PubChem CID 175083337) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone
PubChem CID175083337
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(NC(C(=O)N2CCCC2)C2CCCCC2)cc1
InChIInChI=1S/C19H28N2O/c1-15-9-11-17(12-10-15)20-18(16-7-3-2-4-8-16)19(22)21-13-5-6-14-21/h9-12,16,18,20H,2-8,13-14H2,1H3
InChIKeyMVYAYBVXVPGRDQ-UHFFFAOYSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-2-(4-methylanilino)-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-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate
CID 154630207
4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 46032282
4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide
CID 46020795
N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939
2-(4-methylanilino)-4,4-diphenyl-1-pyrrolidin-1-ylbutan-1-one
CID 171784700
(2S)-1,2-dicyclohexyl-2-(4-methoxyanilino)ethanone
CID 134950990
4-[1-(1,3-benzodioxole-5-carbonylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 46020701
N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 93199625
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 46020400
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 93199610
2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93198018

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone (CID 175083337) is 2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone is Cc1ccc(NC(C(=O)N2CCCC2)C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone?
The InChIKey is MVYAYBVXVPGRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-9-11-17(12-10-15)20-18(16-7-3-2-4-8-16)19(22)21-13-5-6-14-21/h9-12,16,18,20H,2-8,13-14H2,1H3.
What are the key properties of 2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone?
2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone has a molecular weight of 300.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 175083337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).