methyl 2-benzamido-4,5-dimethoxybenzoate

C17H17NO5 — CID 717865

IUPACmethyl 2-benzamido-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C17H17NO5/c1-21-14-9-12(17(20)23-3)13(10-15(14)22-2)18-16(19)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,18,19)
InChIKeyLUZBONGNHOOEDA-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.74
Rot. Bonds5

About methyl 2-benzamido-4,5-dimethoxybenzoate

methyl 2-benzamido-4,5-dimethoxybenzoate (PubChem CID 717865) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 2-benzamido-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-benzamido-4,5-dimethoxybenzoate
PubChem CID717865
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Namemethyl 2-benzamido-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C17H17NO5/c1-21-14-9-12(17(20)23-3)13(10-15(14)22-2)18-16(19)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,18,19)
InChIKeyLUZBONGNHOOEDA-UHFFFAOYSA-N
XLogP2.74
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-benzamido-4,5-dimethoxybenzoate (CID 717865) is methyl 2-benzamido-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-benzamido-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-benzamido-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzamido-4,5-dimethoxybenzoate?
The InChIKey is LUZBONGNHOOEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-14-9-12(17(20)23-3)13(10-15(14)22-2)18-16(19)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,18,19).
What are the key properties of methyl 2-benzamido-4,5-dimethoxybenzoate?
methyl 2-benzamido-4,5-dimethoxybenzoate has a molecular weight of 315.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-4,5-dimethoxybenzoate is sourced from PubChem (CID 717865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).