N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H32N2O2 — CID 17082051

IUPACN-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)C1CC(=O)N(c2ccc(CC)cc2)C1
InChIInChI=1S/C21H32N2O2/c1-4-7-8-17(6-3)14-22-21(25)18-13-20(24)23(15-18)19-11-9-16(5-2)10-12-19/h9-12,17-18H,4-8,13-15H2,1-3H3,(H,22,25)
InChIKeyCAFXKKGKDRNCCY-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.93
Rot. Bonds9

About N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17082051) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17082051
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)C1CC(=O)N(c2ccc(CC)cc2)C1
InChIInChI=1S/C21H32N2O2/c1-4-7-8-17(6-3)14-22-21(25)18-13-20(24)23(15-18)19-11-9-16(5-2)10-12-19/h9-12,17-18H,4-8,13-15H2,1-3H3,(H,22,25)
InChIKeyCAFXKKGKDRNCCY-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 691497
(3R)-N-(3-chloropropyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438680
(3S)-N-(2-acetamidoethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595737
N-butan-2-yl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926634
(3S)-N-[(2S)-butan-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084262
N-[2-(ethylamino)ethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119506622
N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3107620
(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 9390100
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 60545522
(3R)-1-cyclopentyl-N-[(2S)-2-ethylhexyl]-5-oxopyrrolidine-3-carboxamide
CID 9364712
1-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55332959
1-(4-ethylphenyl)-5-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxamide
CID 46820263

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17082051) is N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCCCC(CC)CNC(=O)C1CC(=O)N(c2ccc(CC)cc2)C1.
What is the InChIKey of N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CAFXKKGKDRNCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-4-7-8-17(6-3)14-22-21(25)18-13-20(24)23(15-18)19-11-9-16(5-2)10-12-19/h9-12,17-18H,4-8,13-15H2,1-3H3,(H,22,25).
What are the key properties of N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17082051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).