N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C20H26F3N3O4 — CID 55606164

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CC(=O)N(CC(F)(F)F)C2)N2CCOCC2)cc1
InChIInChI=1S/C20H26F3N3O4/c1-29-16-4-2-14(3-5-16)17(25-6-8-30-9-7-25)11-24-19(28)15-10-18(27)26(12-15)13-20(21,22)23/h2-5,15,17H,6-13H2,1H3,(H,24,28)
InChIKeyAENPUYBTONQEMJ-UHFFFAOYSA-N
MW429.44 g/mol
LogP1.60
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 55606164) has the molecular formula C20H26F3N3O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID55606164
Molecular FormulaC20H26F3N3O4
Molecular Weight429.44 g/mol
Exact Mass429.19
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CC(=O)N(CC(F)(F)F)C2)N2CCOCC2)cc1
InChIInChI=1S/C20H26F3N3O4/c1-29-16-4-2-14(3-5-16)17(25-6-8-30-9-7-25)11-24-19(28)15-10-18(27)26(12-15)13-20(21,22)23/h2-5,15,17H,6-13H2,1H3,(H,24,28)
InChIKeyAENPUYBTONQEMJ-UHFFFAOYSA-N
XLogP1.60
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 37288434
1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 4878243
(3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 26918447
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
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]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713124
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
1-(2-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55329328
N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 42956888
2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride
CID 119829745

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 55606164) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is COc1ccc(C(CNC(=O)C2CC(=O)N(CC(F)(F)F)C2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is AENPUYBTONQEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O4/c1-29-16-4-2-14(3-5-16)17(25-6-8-30-9-7-25)11-24-19(28)15-10-18(27)26(12-15)13-20(21,22)23/h2-5,15,17H,6-13H2,1H3,(H,24,28).
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55606164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).