methyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate

C20H19NO4 — CID 142044532

IUPACmethyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate
SMILESCCOC(=O)c1ccccc1Cn1ccc2cc(C(=O)OC)ccc21
InChIInChI=1S/C20H19NO4/c1-3-25-20(23)17-7-5-4-6-16(17)13-21-11-10-14-12-15(19(22)24-2)8-9-18(14)21/h4-12H,3,13H2,1-2H3
InChIKeyLVZAJMGCEZWJBQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.65
Rot. Bonds5

About methyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate

methyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate (PubChem CID 142044532) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate
PubChem CID142044532
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Namemethyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate
SMILESCCOC(=O)c1ccccc1Cn1ccc2cc(C(=O)OC)ccc21
InChIInChI=1S/C20H19NO4/c1-3-25-20(23)17-7-5-4-6-16(17)13-21-11-10-14-12-15(19(22)24-2)8-9-18(14)21/h4-12H,3,13H2,1-2H3
InChIKeyLVZAJMGCEZWJBQ-UHFFFAOYSA-N
XLogP3.65
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[5-(2-ethoxy-2-oxoethoxy)indol-1-yl]methyl]benzoate
CID 139943062
ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate
CID 174455151
methyl 1-[(3-methylphenyl)methyl]indole-5-carboxylate
CID 156703114
methyl 2-[[5-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)indol-1-yl]methyl]benzoate
CID 139617878
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
1-[(2-methylphenyl)methyl]indole-5-carbothioamide
CID 107920515
methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate
CID 118096526
ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate
CID 142044527
ethyl 4-[(5-propan-2-ylindol-1-yl)methyl]benzoate
CID 110831059
2-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63880241
[1-[(2-ethoxycarbonylphenyl)methyl]pyrrol-2-yl]methyl-trimethylazanium
CID 15723705
methyl 2-[(4-fluoroindol-1-yl)methyl]benzoate
CID 82956923

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate?
The IUPAC name of methyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate (CID 142044532) is methyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate.
What is the SMILES notation for methyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate?
The canonical SMILES for methyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate is CCOC(=O)c1ccccc1Cn1ccc2cc(C(=O)OC)ccc21.
What is the InChIKey of methyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate?
The InChIKey is LVZAJMGCEZWJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-25-20(23)17-7-5-4-6-16(17)13-21-11-10-14-12-15(19(22)24-2)8-9-18(14)21/h4-12H,3,13H2,1-2H3.
What are the key properties of methyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate?
methyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate is sourced from PubChem (CID 142044532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).