(4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid

C26H32N2O6 — CID 71570081

IUPAC(4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid
SMILESCCN1C[C@H](CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O.O=C(O)C(=O)O
InChIInChI=1S/C24H30N2O2.C2H2O4/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;3-1(4)2(5)6/h3-12,22H,2,13-19H2,1H3;(H,3,4)(H,5,6)/t22-;/m0./s1
InChIKeyILEXDUMGMWPIJN-FTBISJDPSA-N
MW468.55 g/mol
LogP2.33
Rot. Bonds6

About (4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid

(4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid (PubChem CID 71570081) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is (4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid.

Molecular Properties

Compound Name(4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid
PubChem CID71570081
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name(4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid
SMILESCCN1C[C@H](CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O.O=C(O)C(=O)O
InChIInChI=1S/C24H30N2O2.C2H2O4/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;3-1(4)2(5)6/h3-12,22H,2,13-19H2,1H3;(H,3,4)(H,5,6)/t22-;/m0./s1
InChIKeyILEXDUMGMWPIJN-FTBISJDPSA-N
XLogP2.33
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpyrrolidin-2-one
CID 95560308
(2S,3S)-2,3-dibenzoyloxy-4-oxo-4-phenylbutanoic acid;bis((4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one);hydrate;hydrochloride
CID 162083832
13-chloro-2-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one
CID 174805697
(4R)-4-(2-hydroxyethyl)-3,3-diphenyl-1-propan-2-ylpyrrolidin-2-one
CID 95560288
4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride
CID 126961345
(5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 29087489
3-ethyl-N-(2-morpholin-4-ylethyl)-3-phenylazetidine-1-carboxamide
CID 138045017
3-ethyl-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-diphenylimidazolidine-2,4-dione
CID 10949912
(3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95046533
1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 125002392
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 136579803
4-morpholin-4-yl-3,3-diphenylbutan-2-one
CID 23423770

Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid?
The IUPAC name of (4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid (CID 71570081) is (4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid.
What is the SMILES notation for (4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid?
The canonical SMILES for (4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid is CCN1C[C@H](CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O.O=C(O)C(=O)O.
What is the InChIKey of (4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid?
The InChIKey is ILEXDUMGMWPIJN-FTBISJDPSA-N. The full InChI is InChI=1S/C24H30N2O2.C2H2O4/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;3-1(4)2(5)6/h3-12,22H,2,13-19H2,1H3;(H,3,4)(H,5,6)/t22-;/m0./s1.
What are the key properties of (4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid?
(4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid has a molecular weight of 468.55 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;oxalic acid is sourced from PubChem (CID 71570081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).