methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate

C19H18N2O6 — CID 7783383

IUPACmethyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H18N2O6/c1-26-19(25)14-7-9-15(10-8-14)21-16(22)12-27-17(23)11-20-18(24)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,24)(H,21,22)
InChIKeyKBJBVSLJQFORNV-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.38
Rot. Bonds7

About methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate

methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate (PubChem CID 7783383) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
PubChem CID7783383
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Namemethyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H18N2O6/c1-26-19(25)14-7-9-15(10-8-14)21-16(22)12-27-17(23)11-20-18(24)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,24)(H,21,22)
InChIKeyKBJBVSLJQFORNV-UHFFFAOYSA-N
XLogP1.38
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 9364094
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854675
methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
CID 29170764
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4655498
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345710
methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate
CID 7654687
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878170
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate
CID 7780766
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 40676131

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate (CID 7783383) is methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate?
The InChIKey is KBJBVSLJQFORNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-26-19(25)14-7-9-15(10-8-14)21-16(22)12-27-17(23)11-20-18(24)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate?
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate has a molecular weight of 370.36 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 7783383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).