1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

C24H26N4O3 — CID 55855272

IUPAC1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2ccc(OCc3nccn3C)cc2)CC1=O
InChIInChI=1S/C24H26N4O3/c1-3-17-6-4-5-7-21(17)28-15-18(14-23(28)29)24(30)26-19-8-10-20(11-9-19)31-16-22-25-12-13-27(22)2/h4-13,18H,3,14-16H2,1-2H3,(H,26,30)
InChIKeyGDLFTBWWXPSVPG-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.55
Rot. Bonds7

About 1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55855272) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55855272
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2ccc(OCc3nccn3C)cc2)CC1=O
InChIInChI=1S/C24H26N4O3/c1-3-17-6-4-5-7-21(17)28-15-18(14-23(28)29)24(30)26-19-8-10-20(11-9-19)31-16-22-25-12-13-27(22)2/h4-13,18H,3,14-16H2,1-2H3,(H,26,30)
InChIKeyGDLFTBWWXPSVPG-UHFFFAOYSA-N
XLogP3.55
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004578
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
methyl 4-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 26098178
N-[4-(difluoromethylsulfanyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 112759119
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 124529053
(3R)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 94518565
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75809403
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7947509
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
(3R)-1-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745509

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 55855272) is 1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)Nc2ccc(OCc3nccn3C)cc2)CC1=O.
What is the InChIKey of 1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GDLFTBWWXPSVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-17-6-4-5-7-21(17)28-15-18(14-23(28)29)24(30)26-19-8-10-20(11-9-19)31-16-22-25-12-13-27(22)2/h4-13,18H,3,14-16H2,1-2H3,(H,26,30).
What are the key properties of 1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55855272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).