ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate

C26H28N2O6 — CID 10994234

IUPACethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate
SMILESCCOC(=O)C[C@]1([C@]2(CC(=O)OCC)C(=O)N(C)c3ccccc32)C(=O)N(C)c2ccccc21
InChIInChI=1S/C26H28N2O6/c1-5-33-21(29)15-25(17-11-7-9-13-19(17)27(3)23(25)31)26(16-22(30)34-6-2)18-12-8-10-14-20(18)28(4)24(26)32/h7-14H,5-6,15-16H2,1-4H3/t25-,26+
InChIKeyADJWHVBREHADDK-WMPKNSHKSA-N
MW464.52 g/mol
LogP2.72
Rot. Bonds7

About ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate

ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate (PubChem CID 10994234) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate
PubChem CID10994234
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Nameethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate
SMILESCCOC(=O)C[C@]1([C@]2(CC(=O)OCC)C(=O)N(C)c3ccccc32)C(=O)N(C)c2ccccc21
InChIInChI=1S/C26H28N2O6/c1-5-33-21(29)15-25(17-11-7-9-13-19(17)27(3)23(25)31)26(16-22(30)34-6-2)18-12-8-10-14-20(18)28(4)24(26)32/h7-14H,5-6,15-16H2,1-4H3/t25-,26+
InChIKeyADJWHVBREHADDK-WMPKNSHKSA-N
XLogP2.72
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (1S,2S)-2'-oxospiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956407
ethyl 2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
CID 4305752
ethyl (1S,2S)-2'-oxo-5'-phenyl-spiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956424
butyl (4S)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
CID 5389313
butyl (4S)-2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carboxylate
CID 5389285
Methyl 3'-acetyl-6'-amino-1,2'-dimethyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
CID 665348
1-(4-Ethoxycarbonyl-6-phenyl-hexanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 44459111
ethyl (1'R,3'R)-3'-benzoyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 122193089
ethyl (1'S,3'S)-3'-benzoyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 122194579
ethyl (1S,3S)-3-benzoyl-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate
CID 122194592
ethyl (1S,3S)-1'-methyl-3-(4-methylbenzoyl)-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate
CID 122194594
ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 347441

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate?
The IUPAC name of ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate (CID 10994234) is ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate?
The canonical SMILES for ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate is CCOC(=O)C[C@]1([C@]2(CC(=O)OCC)C(=O)N(C)c3ccccc32)C(=O)N(C)c2ccccc21.
What is the InChIKey of ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate?
The InChIKey is ADJWHVBREHADDK-WMPKNSHKSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-5-33-21(29)15-25(17-11-7-9-13-19(17)27(3)23(25)31)26(16-22(30)34-6-2)18-12-8-10-14-20(18)28(4)24(26)32/h7-14H,5-6,15-16H2,1-4H3/t25-,26+.
What are the key properties of ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate?
ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate has a molecular weight of 464.52 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate is sourced from PubChem (CID 10994234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).