[4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate

C24H19NO6 — CID 2067592

IUPAC[4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate
SMILESO=C(CNC(=O)c1ccccc1)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H19NO6/c26-21(16-30-22(27)15-25-23(28)18-7-3-1-4-8-18)17-11-13-20(14-12-17)31-24(29)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,25,28)
InChIKeyUGTNSKAHSHIPMD-UHFFFAOYSA-N
MW417.42 g/mol
LogP3.06
Rot. Bonds8

About [4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate

[4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate (PubChem CID 2067592) has the molecular formula C24H19NO6 and a molecular weight of 417.42 g/mol. Its IUPAC name is [4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate
PubChem CID2067592
Molecular FormulaC24H19NO6
Molecular Weight417.42 g/mol
Exact Mass417.12
IUPAC Name[4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate
SMILESO=C(CNC(=O)c1ccccc1)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H19NO6/c26-21(16-30-22(27)15-25-23(28)18-7-3-1-4-8-18)17-11-13-20(14-12-17)31-24(29)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,25,28)
InChIKeyUGTNSKAHSHIPMD-UHFFFAOYSA-N
XLogP3.06
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[2-[(3,5-ditert-butylbenzoyl)amino]acetyl]oxyacetyl]phenyl] 4-methylbenzoate
CID 4015800
[2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate
CID 7783022
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate
CID 7783025
[4-[2-[2-(propanoylamino)acetyl]oxyacetyl]phenyl] 4-methylbenzoate
CID 4266462
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
[4-[2-[2-[[2-(benzenesulfonamido)acetyl]amino]acetyl]oxyacetyl]phenyl] 4-methylbenzoate
CID 5167710
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854515
[2-(4-nitrophenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate
CID 3499042
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate
CID 7516811
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883743

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate?
The IUPAC name of [4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate (CID 2067592) is [4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate.
What is the SMILES notation for [4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate?
The canonical SMILES for [4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate is O=C(CNC(=O)c1ccccc1)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate?
The InChIKey is UGTNSKAHSHIPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO6/c26-21(16-30-22(27)15-25-23(28)18-7-3-1-4-8-18)17-11-13-20(14-12-17)31-24(29)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,25,28).
What are the key properties of [4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate?
[4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate has a molecular weight of 417.42 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate is sourced from PubChem (CID 2067592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).