methyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate

C20H18N2O7 — CID 7400488

IUPACmethyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COC(=O)Cn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C20H18N2O7/c1-12-7-8-13(19(25)27-2)9-14(12)21-17(23)11-28-18(24)10-22-15-5-3-4-6-16(15)29-20(22)26/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeySWQPDTYDLNDFOQ-UHFFFAOYSA-N
MW398.37 g/mol
LogP1.87
Rot. Bonds6

About methyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate

methyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate (PubChem CID 7400488) has the molecular formula C20H18N2O7 and a molecular weight of 398.37 g/mol. Its IUPAC name is methyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate
PubChem CID7400488
Molecular FormulaC20H18N2O7
Molecular Weight398.37 g/mol
Exact Mass398.11
IUPAC Namemethyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COC(=O)Cn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C20H18N2O7/c1-12-7-8-13(19(25)27-2)9-14(12)21-17(23)11-28-18(24)10-22-15-5-3-4-6-16(15)29-20(22)26/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeySWQPDTYDLNDFOQ-UHFFFAOYSA-N
XLogP1.87
TPSA116.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400342
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401180
methyl 3-[[2-[2-(3,4-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]-4-methylbenzoate
CID 7352550
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 27264387
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401217
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401195
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401505
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401009
methyl 3-[[2-[2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]oxyacetyl]amino]-4-methylbenzoate
CID 7906677
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550851
methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate
CID 7691145
methyl 4-methyl-3-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
CID 7848077

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate (CID 7400488) is methyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)COC(=O)Cn2c(=O)oc3ccccc32)c1.
What is the InChIKey of methyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is SWQPDTYDLNDFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O7/c1-12-7-8-13(19(25)27-2)9-14(12)21-17(23)11-28-18(24)10-22-15-5-3-4-6-16(15)29-20(22)26/h3-9H,10-11H2,1-2H3,(H,21,23).
What are the key properties of methyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate?
methyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 398.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7400488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).