ethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate

C21H23NO7 — CID 118737778

IUPACethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2c(OC)cccc2c1Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H23NO7/c1-6-28-21(23)20-17(13-8-7-9-14(24-2)18(13)29-20)22-12-10-15(25-3)19(27-5)16(11-12)26-4/h7-11,22H,6H2,1-5H3
InChIKeySZGUJKBKPLYHPN-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.39
Rot. Bonds8

About ethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate

ethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate (PubChem CID 118737778) has the molecular formula C21H23NO7 and a molecular weight of 401.42 g/mol. Its IUPAC name is ethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate
PubChem CID118737778
Molecular FormulaC21H23NO7
Molecular Weight401.42 g/mol
Exact Mass401.15
IUPAC Nameethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2c(OC)cccc2c1Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H23NO7/c1-6-28-21(23)20-17(13-8-7-9-14(24-2)18(13)29-20)22-12-10-15(25-3)19(27-5)16(11-12)26-4/h7-11,22H,6H2,1-5H3
InChIKeySZGUJKBKPLYHPN-UHFFFAOYSA-N
XLogP4.39
TPSA88.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117039
3,7-dimethoxy-1-benzofuran-2-carbohydrazide
CID 57464190
ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate
CID 16814961
methyl 3-hydroxy-7-methoxy-1-benzofuran-2-carboxylate
CID 54676990
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110000692
ethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 7117067
N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922813
ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate
CID 22734085
ethyl 2-[quinolin-3-yl-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]acetate
CID 20826893
ethyl 3-[(5-chloro-2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117043
1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155106

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate (CID 118737778) is ethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2c(OC)cccc2c1Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate?
The InChIKey is SZGUJKBKPLYHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO7/c1-6-28-21(23)20-17(13-8-7-9-14(24-2)18(13)29-20)22-12-10-15(25-3)19(27-5)16(11-12)26-4/h7-11,22H,6H2,1-5H3.
What are the key properties of ethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate?
ethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate has a molecular weight of 401.42 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 118737778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).