ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate

C25H29NO6 — CID 19238131

IUPACethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccc(OCC)cc2)c2ccc(OC(CC)C(=O)OC)cc12
InChIInChI=1S/C25H29NO6/c1-6-22(24(27)29-5)32-19-13-14-21-20(15-19)23(25(28)31-8-3)16(4)26(21)17-9-11-18(12-10-17)30-7-2/h9-15,22H,6-8H2,1-5H3
InChIKeyUPLZEESKVPGVHR-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.84
Rot. Bonds9

About ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate

ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate (PubChem CID 19238131) has the molecular formula C25H29NO6 and a molecular weight of 439.51 g/mol. Its IUPAC name is ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate
PubChem CID19238131
Molecular FormulaC25H29NO6
Molecular Weight439.51 g/mol
Exact Mass439.20
IUPAC Nameethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccc(OCC)cc2)c2ccc(OC(CC)C(=O)OC)cc12
InChIInChI=1S/C25H29NO6/c1-6-22(24(27)29-5)32-19-13-14-21-20(15-19)23(25(28)31-8-3)16(4)26(21)17-9-11-18(12-10-17)30-7-2/h9-15,22H,6-8H2,1-5H3
InChIKeyUPLZEESKVPGVHR-UHFFFAOYSA-N
XLogP4.84
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-(2-ethoxy-2-oxoethoxy)-1-(4-ethoxyphenyl)-2-methylindole-3-carboxylate
CID 1038232
ethyl 1-(4-ethoxyphenyl)-2-methyl-5-prop-2-enoxyindole-3-carboxylate
CID 2076805
2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate
CID 17138681
ethyl 1-(4-ethoxyphenyl)-2-methyl-5-[(4-propan-2-yloxycarbonylphenyl)methoxy]indole-3-carboxylate
CID 2076807
ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
CID 2076757
ethyl 5-[2-(dimethylamino)ethoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 23768342
ethyl 5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 51396686
ethyl 1-[4-(diethylamino)phenyl]-5-[1-(dimethylamino)propan-2-yloxy]-2-methylindole-3-carboxylate
CID 23935259
ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate
CID 11813846
ethyl 2-methyl-5-(2-methylbenzoyl)oxy-1-phenylindole-3-carboxylate
CID 3931042
ethyl 5-[(2R)-3-(benzylamino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 1180098
ethyl 5-[3-(4-chloroanilino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 5083162

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate?
The IUPAC name of ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate (CID 19238131) is ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate?
The canonical SMILES for ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate is CCOC(=O)c1c(C)n(-c2ccc(OCC)cc2)c2ccc(OC(CC)C(=O)OC)cc12.
What is the InChIKey of ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate?
The InChIKey is UPLZEESKVPGVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO6/c1-6-22(24(27)29-5)32-19-13-14-21-20(15-19)23(25(28)31-8-3)16(4)26(21)17-9-11-18(12-10-17)30-7-2/h9-15,22H,6-8H2,1-5H3.
What are the key properties of ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate?
ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate has a molecular weight of 439.51 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate is sourced from PubChem (CID 19238131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).