2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone

C23H32N2O — CID 110655093

IUPAC2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCCN(CC(=O)c1cc(C)n(C2CCCCC2)c1C)Cc1ccccc1
InChIInChI=1S/C23H32N2O/c1-4-24(16-20-11-7-5-8-12-20)17-23(26)22-15-18(2)25(19(22)3)21-13-9-6-10-14-21/h5,7-8,11-12,15,21H,4,6,9-10,13-14,16-17H2,1-3H3
InChIKeyIOUJDHKAJGGURF-UHFFFAOYSA-N
MW352.52 g/mol
LogP5.31
Rot. Bonds7

About 2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone

2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone (PubChem CID 110655093) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone
PubChem CID110655093
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCCN(CC(=O)c1cc(C)n(C2CCCCC2)c1C)Cc1ccccc1
InChIInChI=1S/C23H32N2O/c1-4-24(16-20-11-7-5-8-12-20)17-23(26)22-15-18(2)25(19(22)3)21-13-9-6-10-14-21/h5,7-8,11-12,15,21H,4,6,9-10,13-14,16-17H2,1-3H3
InChIKeyIOUJDHKAJGGURF-UHFFFAOYSA-N
XLogP5.31
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone 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

1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2-phenylethylamino)ethanone
CID 110655097
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone
CID 110656364
1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 56512324
2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid
CID 119172084
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 110655106
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone
CID 110655143
5-benzyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 17445712
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 110659262
1-[4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone
CID 110659082
benzyl 4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 110659115
ethyl 2-[[2-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]benzoate
CID 110655177

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone (CID 110655093) is 2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone is CCN(CC(=O)c1cc(C)n(C2CCCCC2)c1C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone?
The InChIKey is IOUJDHKAJGGURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-4-24(16-20-11-7-5-8-12-20)17-23(26)22-15-18(2)25(19(22)3)21-13-9-6-10-14-21/h5,7-8,11-12,15,21H,4,6,9-10,13-14,16-17H2,1-3H3.
What are the key properties of 2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone?
2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone has a molecular weight of 352.52 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 110655093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).