methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate

C25H27NO7 — CID 19449066

IUPACmethyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate
SMILESCCOc1ccc(CNC(=O)c2ccc(COc3ccc(C(=O)OC)cc3)o2)cc1OCC
InChIInChI=1S/C25H27NO7/c1-4-30-21-12-6-17(14-23(21)31-5-2)15-26-24(27)22-13-11-20(33-22)16-32-19-9-7-18(8-10-19)25(28)29-3/h6-14H,4-5,15-16H2,1-3H3,(H,26,27)
InChIKeyDQLZKBFIWATHBA-UHFFFAOYSA-N
MW453.49 g/mol
LogP4.37
Rot. Bonds11

About methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate

methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate (PubChem CID 19449066) has the molecular formula C25H27NO7 and a molecular weight of 453.49 g/mol. Its IUPAC name is methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate
PubChem CID19449066
Molecular FormulaC25H27NO7
Molecular Weight453.49 g/mol
Exact Mass453.18
IUPAC Namemethyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate
SMILESCCOc1ccc(CNC(=O)c2ccc(COc3ccc(C(=O)OC)cc3)o2)cc1OCC
InChIInChI=1S/C25H27NO7/c1-4-30-21-12-6-17(14-23(21)31-5-2)15-26-24(27)22-13-11-20(33-22)16-32-19-9-7-18(8-10-19)25(28)29-3/h6-14H,4-5,15-16H2,1-3H3,(H,26,27)
InChIKeyDQLZKBFIWATHBA-UHFFFAOYSA-N
XLogP4.37
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate with MolForge

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Related Compounds

5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19446192
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46447003
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19463791
5-[(4-ethoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 2166338
N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 35523266
N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43009388
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448207
5-[(4-ethoxyphenoxy)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 19413326
dimethyl 5-[[5-[(4-ethylphenoxy)methyl]furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19415870
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
3-ethoxy-4-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39508576

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate (CID 19449066) is methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate is CCOc1ccc(CNC(=O)c2ccc(COc3ccc(C(=O)OC)cc3)o2)cc1OCC.
What is the InChIKey of methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate?
The InChIKey is DQLZKBFIWATHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO7/c1-4-30-21-12-6-17(14-23(21)31-5-2)15-26-24(27)22-13-11-20(33-22)16-32-19-9-7-18(8-10-19)25(28)29-3/h6-14H,4-5,15-16H2,1-3H3,(H,26,27).
What are the key properties of methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate?
methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate has a molecular weight of 453.49 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate is sourced from PubChem (CID 19449066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).