ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate

C20H21NO3 — CID 68856722

IUPACethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2n1CCc1cccc(OC)c1
InChIInChI=1S/C20H21NO3/c1-3-24-20(22)19-14-16-8-4-5-10-18(16)21(19)12-11-15-7-6-9-17(13-15)23-2/h4-10,13-14H,3,11-12H2,1-2H3
InChIKeyAGFJAJUZYJTYEP-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.07
Rot. Bonds6

About ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate

ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate (PubChem CID 68856722) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate
PubChem CID68856722
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Nameethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2n1CCc1cccc(OC)c1
InChIInChI=1S/C20H21NO3/c1-3-24-20(22)19-14-16-8-4-5-10-18(16)21(19)12-11-15-7-6-9-17(13-15)23-2/h4-10,13-14H,3,11-12H2,1-2H3
InChIKeyAGFJAJUZYJTYEP-UHFFFAOYSA-N
XLogP4.07
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate
CID 164612993
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate
CID 90082821
ethyl 5-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 68699963
ethyl 1-prop-2-enylindole-2-carboxylate
CID 10398929
ethyl 1-[(3,5-difluorophenyl)methyl]indole-2-carboxylate
CID 143638283
ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate
CID 71206188
ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate
CID 178180601
ethyl 4-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole-3-carboxylate
CID 83232650
ethyl 5-methoxy-1-prop-2-enylindole-2-carboxylate
CID 71427681
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate?
The IUPAC name of ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate (CID 68856722) is ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate is CCOC(=O)c1cc2ccccc2n1CCc1cccc(OC)c1.
What is the InChIKey of ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate?
The InChIKey is AGFJAJUZYJTYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-24-20(22)19-14-16-8-4-5-10-18(16)21(19)12-11-15-7-6-9-17(13-15)23-2/h4-10,13-14H,3,11-12H2,1-2H3.
What are the key properties of ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate?
ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate is sourced from PubChem (CID 68856722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).