methyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate

C18H19NO5 — CID 717604

IUPACmethyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C18H19NO5/c1-11-6-5-7-12(8-11)17(20)19-14-10-16(23-3)15(22-2)9-13(14)18(21)24-4/h5-10H,1-4H3,(H,19,20)
InChIKeyGZLLACHMJDZRFX-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.05
Rot. Bonds5

About methyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate

methyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate (PubChem CID 717604) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate
PubChem CID717604
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C18H19NO5/c1-11-6-5-7-12(8-11)17(20)19-14-10-16(23-3)15(22-2)9-13(14)18(21)24-4/h5-10H,1-4H3,(H,19,20)
InChIKeyGZLLACHMJDZRFX-UHFFFAOYSA-N
XLogP3.05
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate (CID 717604) is methyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(C)c1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate?
The InChIKey is GZLLACHMJDZRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-11-6-5-7-12(8-11)17(20)19-14-10-16(23-3)15(22-2)9-13(14)18(21)24-4/h5-10H,1-4H3,(H,19,20).
What are the key properties of methyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate?
methyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate has a molecular weight of 329.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[(3-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 717604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).