ethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate

C24H24N2O6 — CID 139040686

IUPACethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
SMILESCCOC(=O)[C@@]1([C@]2(C(=O)OCC)C(=O)N(C)c3ccccc32)C(=O)N(C)c2ccccc21
InChIInChI=1S/C24H24N2O6/c1-5-31-21(29)23(15-11-7-9-13-17(15)25(3)19(23)27)24(22(30)32-6-2)16-12-8-10-14-18(16)26(4)20(24)28/h7-14H,5-6H2,1-4H3/t23-,24-/m0/s1
InChIKeyVONGVWRIKKDWJB-ZEQRLZLVSA-N
MW436.46 g/mol
LogP1.94
Rot. Bonds5

About ethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate

ethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate (PubChem CID 139040686) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is ethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
PubChem CID139040686
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Nameethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
SMILESCCOC(=O)[C@@]1([C@]2(C(=O)OCC)C(=O)N(C)c3ccccc32)C(=O)N(C)c2ccccc21
InChIInChI=1S/C24H24N2O6/c1-5-31-21(29)23(15-11-7-9-13-17(15)25(3)19(23)27)24(22(30)32-6-2)16-12-8-10-14-18(16)26(4)20(24)28/h7-14H,5-6H2,1-4H3/t23-,24-/m0/s1
InChIKeyVONGVWRIKKDWJB-ZEQRLZLVSA-N
XLogP1.94
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 3-benzyl-1-[3-(dimethylamino)propyl]-2-oxo-3-indolinecarboxylate
CID 23723129
Ethyl 3-benzyl-2-oxo-3-indolinecarboxylate
CID 16210738
Ethyl 3-benzyl-1-[3-(dimethylamino)propyl]-2-oxoindole-3-carboxylate
CID 4608942
diethyl (1S,2S)-1'-methyl-2'-oxospiro[cyclopropane-3,3'-indole]-1,2-dicarboxylate
CID 122193086
ethyl (1S,2S,3S,4R)-1'-methyl-2'-oxospiro[bicyclo[2.2.1]hept-5-ene-3,3'-indole]-2-carboxylate
CID 127048745
ethyl (1S,2R,3R,4R)-1'-acetyl-2'-oxospiro[bicyclo[2.2.1]hept-5-ene-3,3'-indole]-2-carboxylate
CID 127048747
ethyl (1S,2S,3S,4R)-1'-acetyl-2'-oxospiro[bicyclo[2.2.1]hept-5-ene-3,3'-indole]-2-carboxylate
CID 127050611
ethyl (1S,2R,3R,4R)-1'-methyl-2'-oxospiro[bicyclo[2.2.1]hept-5-ene-3,3'-indole]-2-carboxylate
CID 127050948
methyl 3-[(1R,8S,8aR)-8-ethyl-1'-methyl-2'-oxospiro[2,3,5,6,7,8a-hexahydroindolizine-1,3'-indole]-8-yl]propanoate
CID 21628860
methyl 3-[(1S,8R,8aR)-8-ethyl-1'-methyl-2'-oxospiro[2,3,5,6,7,8a-hexahydroindolizine-1,3'-indole]-8-yl]propanoate
CID 162912100
3H-Indole-3,3-diacetic acid, 1,2-dihydro-1-methyl-2-oxo-, diethyl ester
CID 244860
diethyl (2R)-1'-methyl-2'-oxo-5'-(trifluoromethyl)spiro[1H-indole-2,3'-indole]-3,3-dicarboxylate
CID 122403707

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate?
The IUPAC name of ethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate (CID 139040686) is ethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate.
What is the SMILES notation for ethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate?
The canonical SMILES for ethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate is CCOC(=O)[C@@]1([C@]2(C(=O)OCC)C(=O)N(C)c3ccccc32)C(=O)N(C)c2ccccc21.
What is the InChIKey of ethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate?
The InChIKey is VONGVWRIKKDWJB-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-5-31-21(29)23(15-11-7-9-13-17(15)25(3)19(23)27)24(22(30)32-6-2)16-12-8-10-14-18(16)26(4)20(24)28/h7-14H,5-6H2,1-4H3/t23-,24-/m0/s1.
What are the key properties of ethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate?
ethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate has a molecular weight of 436.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[(3S)-3-ethoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate is sourced from PubChem (CID 139040686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).