1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide

C26H33N3O4 — CID 4878243

IUPAC1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCC(c3ccc(OC)cc3)N3CCOCC3)CC2=O)cc1
InChIInChI=1S/C26H33N3O4/c1-3-19-4-8-22(9-5-19)29-18-21(16-25(29)30)26(31)27-17-24(28-12-14-33-15-13-28)20-6-10-23(32-2)11-7-20/h4-11,21,24H,3,12-18H2,1-2H3,(H,27,31)
InChIKeyCXKIIGUFOSOLEW-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.80
Rot. Bonds8

About 1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4878243) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID4878243
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCC(c3ccc(OC)cc3)N3CCOCC3)CC2=O)cc1
InChIInChI=1S/C26H33N3O4/c1-3-19-4-8-22(9-5-19)29-18-21(16-25(29)30)26(31)27-17-24(28-12-14-33-15-13-28)20-6-10-23(32-2)11-7-20/h4-11,21,24H,3,12-18H2,1-2H3,(H,27,31)
InChIKeyCXKIIGUFOSOLEW-UHFFFAOYSA-N
XLogP2.80
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 26918447
(3R)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 37288434
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43053344
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55606164
1-(2-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55329328
1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55603057
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573087
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55382996
1-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 43060252
1-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55332959
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide (CID 4878243) is 1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)NCC(c3ccc(OC)cc3)N3CCOCC3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CXKIIGUFOSOLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-3-19-4-8-22(9-5-19)29-18-21(16-25(29)30)26(31)27-17-24(28-12-14-33-15-13-28)20-6-10-23(32-2)11-7-20/h4-11,21,24H,3,12-18H2,1-2H3,(H,27,31).
What are the key properties of 1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4878243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).