methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate

C27H25NO8 — CID 26841548

IUPACmethyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC)cc12
InChIInChI=1S/C27H25NO8/c1-31-16-8-6-15(7-9-16)25-24(19-12-17(32-2)10-11-21(19)36-25)26(29)28-20-14-23(34-4)22(33-3)13-18(20)27(30)35-5/h6-14H,1-5H3,(H,28,29)
InChIKeyYUGPIJSPYDJLNS-UHFFFAOYSA-N
MW491.50 g/mol
LogP5.17
Rot. Bonds8

About methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate

methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate (PubChem CID 26841548) has the molecular formula C27H25NO8 and a molecular weight of 491.50 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate
PubChem CID26841548
Molecular FormulaC27H25NO8
Molecular Weight491.50 g/mol
Exact Mass491.16
IUPAC Namemethyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC)cc12
InChIInChI=1S/C27H25NO8/c1-31-16-8-6-15(7-9-16)25-24(19-12-17(32-2)10-11-21(19)36-25)26(29)28-20-14-23(34-4)22(33-3)13-18(20)27(30)35-5/h6-14H,1-5H3,(H,28,29)
InChIKeyYUGPIJSPYDJLNS-UHFFFAOYSA-N
XLogP5.17
TPSA105.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate
CID 26841545
2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
CID 10316448
methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 5305505
methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate
CID 24818793
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 8801664
N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065520
3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
CID 89479970
N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
CID 15512805
methyl 4,5-dimethoxy-2-[4-(4-methylphenoxy)butanoylamino]benzoate
CID 7917719
N-(2,4-dimethoxyphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703181

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate (CID 26841548) is methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC)cc12.
What is the InChIKey of methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate?
The InChIKey is YUGPIJSPYDJLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO8/c1-31-16-8-6-15(7-9-16)25-24(19-12-17(32-2)10-11-21(19)36-25)26(29)28-20-14-23(34-4)22(33-3)13-18(20)27(30)35-5/h6-14H,1-5H3,(H,28,29).
What are the key properties of methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate?
methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate has a molecular weight of 491.50 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate is sourced from PubChem (CID 26841548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).