diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate

C21H25NO9 — CID 108762104

IUPACdiethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C(=O)OCC
InChIInChI=1S/C21H25NO9/c1-7-29-20(24)15-11(3)31-19(16(15)21(25)30-8-2)22-18(23)12-9-13(26-4)17(28-6)14(10-12)27-5/h9-10H,7-8H2,1-6H3,(H,22,23)
InChIKeySHXSELZXLUYAPU-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.22
Rot. Bonds9

About diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate

diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate (PubChem CID 108762104) has the molecular formula C21H25NO9 and a molecular weight of 435.43 g/mol. Its IUPAC name is diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate
PubChem CID108762104
Molecular FormulaC21H25NO9
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC Namediethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C(=O)OCC
InChIInChI=1S/C21H25NO9/c1-7-29-20(24)15-11(3)31-19(16(15)21(25)30-8-2)22-18(23)12-9-13(26-4)17(28-6)14(10-12)27-5/h9-10H,7-8H2,1-6H3,(H,22,23)
InChIKeySHXSELZXLUYAPU-UHFFFAOYSA-N
XLogP3.22
TPSA122.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

diethyl 2-[(3,4-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762099
diethyl 2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762112
ethyl 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108763545
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
ethyl 4-acetyl-5-methyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]furan-3-carboxylate
CID 108763592
diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate
CID 108739398
ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117039
ethyl 5-methyl-4-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 2205035
ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 28631326
ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1115914
ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 155176323
diethyl 2-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108762216

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate?
The IUPAC name of diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate (CID 108762104) is diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate is CCOC(=O)c1c(C)oc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C(=O)OCC.
What is the InChIKey of diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate?
The InChIKey is SHXSELZXLUYAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO9/c1-7-29-20(24)15-11(3)31-19(16(15)21(25)30-8-2)22-18(23)12-9-13(26-4)17(28-6)14(10-12)27-5/h9-10H,7-8H2,1-6H3,(H,22,23).
What are the key properties of diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate?
diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate has a molecular weight of 435.43 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate is sourced from PubChem (CID 108762104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).