methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate

C19H20N2O6 — CID 112999873

IUPACmethyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CNC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C19H20N2O6/c1-25-14-8-5-9-15(26-2)17(14)18(23)20-11-16(22)21-13-7-4-6-12(10-13)19(24)27-3/h4-10H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIJYHWELFAUJYFG-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.86
Rot. Bonds7

About methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate

methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate (PubChem CID 112999873) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate
PubChem CID112999873
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Namemethyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CNC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C19H20N2O6/c1-25-14-8-5-9-15(26-2)17(14)18(23)20-11-16(22)21-13-7-4-6-12(10-13)19(24)27-3/h4-10H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIJYHWELFAUJYFG-UHFFFAOYSA-N
XLogP1.86
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]benzoate
CID 61254044
methyl 3-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 112999894
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2,6-dimethoxybenzamide
CID 110370532
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 30379109
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
methyl 3-[[2-(prop-2-ynylamino)acetyl]amino]benzoate
CID 71627760
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117
methyl 3-[[2-(cyclohexylamino)acetyl]amino]benzoate
CID 1133399
methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate
CID 112999895
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate (CID 112999873) is methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)CNC(=O)c2c(OC)cccc2OC)c1.
What is the InChIKey of methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate?
The InChIKey is IJYHWELFAUJYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-25-14-8-5-9-15(26-2)17(14)18(23)20-11-16(22)21-13-7-4-6-12(10-13)19(24)27-3/h4-10H,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate?
methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate has a molecular weight of 372.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 112999873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).