(3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one

C33H32N2O4 — CID 93196249

IUPAC(3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one
SMILESCCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)CN(C)[C@]23C(=O)N(Cc2ccccc2C)c2ccccc23)cc1
InChIInChI=1S/C33H32N2O4/c1-4-38-25-17-15-23(16-18-25)31(36)30-26(29-14-9-19-39-29)21-34(3)33(30)27-12-7-8-13-28(27)35(32(33)37)20-24-11-6-5-10-22(24)2/h5-19,26,30H,4,20-21H2,1-3H3/t26-,30+,33+/m1/s1
InChIKeyYWGYKJYUCFXMNB-NBJCSOOUSA-N
MW520.63 g/mol
LogP5.96
Rot. Bonds7

About (3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one

(3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one (PubChem CID 93196249) has the molecular formula C33H32N2O4 and a molecular weight of 520.63 g/mol. Its IUPAC name is (3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one
PubChem CID93196249
Molecular FormulaC33H32N2O4
Molecular Weight520.63 g/mol
Exact Mass520.24
IUPAC Name(3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one
SMILESCCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)CN(C)[C@]23C(=O)N(Cc2ccccc2C)c2ccccc23)cc1
InChIInChI=1S/C33H32N2O4/c1-4-38-25-17-15-23(16-18-25)31(36)30-26(29-14-9-19-39-29)21-34(3)33(30)27-12-7-8-13-28(27)35(32(33)37)20-24-11-6-5-10-22(24)2/h5-19,26,30H,4,20-21H2,1-3H3/t26-,30+,33+/m1/s1
InChIKeyYWGYKJYUCFXMNB-NBJCSOOUSA-N
XLogP5.96
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one with MolForge

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Related Compounds

(3R)-1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 29445827
(3R)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 27522911
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
CID 3747127
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 2914331
(4Z)-5-(furan-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108655594
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216208
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1331654
(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216206
9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine
CID 123972048
(3R)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216204
5-(furan-2-yl)-4-[hydroxy-[4-[(2-methylphenyl)methoxy]phenyl]methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 4699158
1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 17088446

Frequently Asked Questions

What is the IUPAC name of (3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of (3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one (CID 93196249) is (3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for (3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for (3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one is CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)CN(C)[C@]23C(=O)N(Cc2ccccc2C)c2ccccc23)cc1.
What is the InChIKey of (3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one?
The InChIKey is YWGYKJYUCFXMNB-NBJCSOOUSA-N. The full InChI is InChI=1S/C33H32N2O4/c1-4-38-25-17-15-23(16-18-25)31(36)30-26(29-14-9-19-39-29)21-34(3)33(30)27-12-7-8-13-28(27)35(32(33)37)20-24-11-6-5-10-22(24)2/h5-19,26,30H,4,20-21H2,1-3H3/t26-,30+,33+/m1/s1.
What are the key properties of (3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one?
(3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one has a molecular weight of 520.63 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'R,4'R)-3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]spiro[indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 93196249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).