N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

C23H28N2O2 — CID 17120494

IUPACN-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCCCCN(C(=O)C1CC(=O)N(c2ccccc2CC)C1)c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-3-5-15-24(20-12-7-6-8-13-20)23(27)19-16-22(26)25(17-19)21-14-10-9-11-18(21)4-2/h6-14,19H,3-5,15-17H2,1-2H3
InChIKeyDQGYKBFFTZRPMT-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.44
Rot. Bonds7

About N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 17120494) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID17120494
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCCCCN(C(=O)C1CC(=O)N(c2ccccc2CC)C1)c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-3-5-15-24(20-12-7-6-8-13-20)23(27)19-16-22(26)25(17-19)21-14-10-9-11-18(21)4-2/h6-14,19H,3-5,15-17H2,1-2H3
InChIKeyDQGYKBFFTZRPMT-UHFFFAOYSA-N
XLogP4.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-ethyl-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120415
N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70296770
1-(2,3-dichlorophenyl)-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191384
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198514
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
N-butyl-1-(2,6-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191265
N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120453
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
1-[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 94830827
2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205463
N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 51157028
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 17120494) is N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is CCCCN(C(=O)C1CC(=O)N(c2ccccc2CC)C1)c1ccccc1.
What is the InChIKey of N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is DQGYKBFFTZRPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-5-15-24(20-12-7-6-8-13-20)23(27)19-16-22(26)25(17-19)21-14-10-9-11-18(21)4-2/h6-14,19H,3-5,15-17H2,1-2H3.
What are the key properties of N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17120494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).