1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

C21H28N4O4 — CID 56544486

IUPAC1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCC(=O)N3CCCC3C(=O)NC)CC2=O)cc1
InChIInChI=1S/C21H28N4O4/c1-3-14-6-8-16(9-7-14)25-13-15(11-18(25)26)20(28)23-12-19(27)24-10-4-5-17(24)21(29)22-2/h6-9,15,17H,3-5,10-13H2,1-2H3,(H,22,29)(H,23,28)
InChIKeyZZHATTOEQOOTCT-UHFFFAOYSA-N
MW400.48 g/mol
LogP0.46
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 56544486) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID56544486
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCC(=O)N3CCCC3C(=O)NC)CC2=O)cc1
InChIInChI=1S/C21H28N4O4/c1-3-14-6-8-16(9-7-14)25-13-15(11-18(25)26)20(28)23-12-19(27)24-10-4-5-17(24)21(29)22-2/h6-9,15,17H,3-5,10-13H2,1-2H3,(H,22,29)(H,23,28)
InChIKeyZZHATTOEQOOTCT-UHFFFAOYSA-N
XLogP0.46
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-acetamidoethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595737
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 119650076
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119650075
N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2850553
N-[2-(ethylamino)ethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119506622
N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081982
(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 691497
1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 111480635
(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9389079
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 60545522
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (CID 56544486) is 1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)NCC(=O)N3CCCC3C(=O)NC)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZZHATTOEQOOTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-3-14-6-8-16(9-7-14)25-13-15(11-18(25)26)20(28)23-12-19(27)24-10-4-5-17(24)21(29)22-2/h6-9,15,17H,3-5,10-13H2,1-2H3,(H,22,29)(H,23,28).
What are the key properties of 1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56544486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).