[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate

C25H26N2O8 — CID 42978945

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)OCC(=O)N(C)Cc3ccco3)cc2OC)cc1
InChIInChI=1S/C25H26N2O8/c1-27(14-20-5-4-12-33-20)24(29)16-35-25(30)17-6-11-21(22(13-17)32-3)34-15-23(28)26-18-7-9-19(31-2)10-8-18/h4-13H,14-16H2,1-3H3,(H,26,28)
InChIKeyXRXUVRUYBOKPED-UHFFFAOYSA-N
MW482.49 g/mol
LogP3.13
Rot. Bonds11

About [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate (PubChem CID 42978945) has the molecular formula C25H26N2O8 and a molecular weight of 482.49 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate
PubChem CID42978945
Molecular FormulaC25H26N2O8
Molecular Weight482.49 g/mol
Exact Mass482.17
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)OCC(=O)N(C)Cc3ccco3)cc2OC)cc1
InChIInChI=1S/C25H26N2O8/c1-27(14-20-5-4-12-33-20)24(29)16-35-25(30)17-6-11-21(22(13-17)32-3)34-15-23(28)26-18-7-9-19(31-2)10-8-18/h4-13H,14-16H2,1-3H3,(H,26,28)
InChIKeyXRXUVRUYBOKPED-UHFFFAOYSA-N
XLogP3.13
TPSA116.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate with MolForge

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Related Compounds

(2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate
CID 16534890
[2-(4-methoxyanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53270028
ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765345
4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9333882
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 7583235
(2-methoxy-2-oxoethyl) 4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 55354796
(2-amino-2-oxoethyl) 4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 55308946
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 46827614
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55325450
phenacyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 2369072
[2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501342

Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate (CID 42978945) is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate is COc1ccc(NC(=O)COc2ccc(C(=O)OCC(=O)N(C)Cc3ccco3)cc2OC)cc1.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate?
The InChIKey is XRXUVRUYBOKPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O8/c1-27(14-20-5-4-12-33-20)24(29)16-35-25(30)17-6-11-21(22(13-17)32-3)34-15-23(28)26-18-7-9-19(31-2)10-8-18/h4-13H,14-16H2,1-3H3,(H,26,28).
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate?
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate has a molecular weight of 482.49 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 42978945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).