methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate

C20H23NO6 — CID 11509025

IUPACmethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate
SMILESCOC(=O)C12CC(=O)CC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)C2
InChIInChI=1S/C20H23NO6/c1-25-15-6-4-13(10-16(15)26-2)8-9-21-17-7-5-14(22)11-20(17,12-18(21)23)19(24)27-3/h4,6-7,10H,5,8-9,11-12H2,1-3H3
InChIKeyMGVHCHYAUBMEQI-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.88
Rot. Bonds6

About methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate

methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate (PubChem CID 11509025) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate
PubChem CID11509025
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namemethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate
SMILESCOC(=O)C12CC(=O)CC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)C2
InChIInChI=1S/C20H23NO6/c1-25-15-6-4-13(10-16(15)26-2)8-9-21-17-7-5-14(22)11-20(17,12-18(21)23)19(24)27-3/h4,6-7,10H,5,8-9,11-12H2,1-3H3
InChIKeyMGVHCHYAUBMEQI-UHFFFAOYSA-N
XLogP1.88
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate with MolForge

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Related Compounds

(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
CID 10870149
1-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-3a,6-dihydro-3H-indole-2,5-dione
CID 101465772
1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,5,6,7,8-hexahydroquinolin-2-one
CID 5084350
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2962074
ethyl (3R,3aR)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-2-oxo-3,4,5,6-tetrahydroindole-3a-carboxylate
CID 23260195
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 117026469
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 110420777
3-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 11109127
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-bis(trimethylsilyloxy)pyrrolidine-2,5-dione
CID 11236001
(1R,2S,6R,7S)-4-[2-(3,4-dimethoxyphenyl)ethyl]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 7238061
(1R,2R,6R,7R)-4-[2-(3,4-dimethoxyphenyl)ethyl]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98170976

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate?
The IUPAC name of methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate (CID 11509025) is methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate.
What is the SMILES notation for methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate?
The canonical SMILES for methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate is COC(=O)C12CC(=O)CC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)C2.
What is the InChIKey of methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate?
The InChIKey is MGVHCHYAUBMEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-25-15-6-4-13(10-16(15)26-2)8-9-21-17-7-5-14(22)11-20(17,12-18(21)23)19(24)27-3/h4,6-7,10H,5,8-9,11-12H2,1-3H3.
What are the key properties of methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate?
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4,6-dihydro-3H-indole-3a-carboxylate is sourced from PubChem (CID 11509025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).