ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate

C21H21NO5 — CID 15881356

IUPACethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate
SMILESCCOC(=O)c1ccc(-n2c(C(=O)OCC)cc3cc(OC)ccc32)cc1
InChIInChI=1S/C21H21NO5/c1-4-26-20(23)14-6-8-16(9-7-14)22-18-11-10-17(25-3)12-15(18)13-19(22)21(24)27-5-2/h6-13H,4-5H2,1-3H3
InChIKeyAOWOCFCEDNLNSV-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.99
Rot. Bonds6

About ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate

ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate (PubChem CID 15881356) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate
PubChem CID15881356
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Nameethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate
SMILESCCOC(=O)c1ccc(-n2c(C(=O)OCC)cc3cc(OC)ccc32)cc1
InChIInChI=1S/C21H21NO5/c1-4-26-20(23)14-6-8-16(9-7-14)22-18-11-10-17(25-3)12-15(18)13-19(22)21(24)27-5-2/h6-13H,4-5H2,1-3H3
InChIKeyAOWOCFCEDNLNSV-UHFFFAOYSA-N
XLogP3.99
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate
CID 101012963
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 5-methoxy-1-prop-2-enylindole-2-carboxylate
CID 71427681
ethyl 5-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylate
CID 68963470
1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone
CID 170307381
ethyl 5-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 68699963
ethyl 4-(3-cyano-5-methoxyindol-1-yl)benzoate
CID 145493874
ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
CID 29127327
ethyl 4-aminobenzoate;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 121437225
ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate
CID 68699637
2,3-diethylbutanedioic acid;ethyl 4-methoxybenzoate
CID 175299226
ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate
CID 71576576

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate?
The IUPAC name of ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate (CID 15881356) is ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate?
The canonical SMILES for ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate is CCOC(=O)c1ccc(-n2c(C(=O)OCC)cc3cc(OC)ccc32)cc1.
What is the InChIKey of ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate?
The InChIKey is AOWOCFCEDNLNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-4-26-20(23)14-6-8-16(9-7-14)22-18-11-10-17(25-3)12-15(18)13-19(22)21(24)27-5-2/h6-13H,4-5H2,1-3H3.
What are the key properties of ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate?
ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate has a molecular weight of 367.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate is sourced from PubChem (CID 15881356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).