methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate

C18H19NO6 — CID 584792

IUPACmethyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H19NO6/c1-22-12-7-5-11(6-8-12)17(20)19-14-10-16(24-3)15(23-2)9-13(14)18(21)25-4/h5-10H,1-4H3,(H,19,20)
InChIKeyFSFQOZPFDYDGRE-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.75
Rot. Bonds6

About methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate

methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate (PubChem CID 584792) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate
PubChem CID584792
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Namemethyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H19NO6/c1-22-12-7-5-11(6-8-12)17(20)19-14-10-16(24-3)15(23-2)9-13(14)18(21)25-4/h5-10H,1-4H3,(H,19,20)
InChIKeyFSFQOZPFDYDGRE-UHFFFAOYSA-N
XLogP2.75
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate (CID 584792) is methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate?
The InChIKey is FSFQOZPFDYDGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-22-12-7-5-11(6-8-12)17(20)19-14-10-16(24-3)15(23-2)9-13(14)18(21)25-4/h5-10H,1-4H3,(H,19,20).
What are the key properties of methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate?
methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate has a molecular weight of 345.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 584792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).