[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

C24H22N2O5 — CID 7833383

IUPAC[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccccc1
InChIInChI=1S/C24H22N2O5/c27-22(25-15-18-7-3-1-4-8-18)17-30-23(28)16-26-24(29)19-11-13-21(14-12-19)31-20-9-5-2-6-10-20/h1-14H,15-17H2,(H,25,27)(H,26,29)
InChIKeyCBHYBZIMZUPRJQ-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.07
Rot. Bonds9

About [2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 7833383) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID7833383
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccccc1
InChIInChI=1S/C24H22N2O5/c27-22(25-15-18-7-3-1-4-8-18)17-30-23(28)16-26-24(29)19-11-13-21(14-12-19)31-20-9-5-2-6-10-20/h1-14H,15-17H2,(H,25,27)(H,26,29)
InChIKeyCBHYBZIMZUPRJQ-UHFFFAOYSA-N
XLogP3.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 2625536
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790244
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42962919
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 16530168
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 3386791
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833340
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826702
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 28565443
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (CID 7833383) is [2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is CBHYBZIMZUPRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c27-22(25-15-18-7-3-1-4-8-18)17-30-23(28)16-26-24(29)19-11-13-21(14-12-19)31-20-9-5-2-6-10-20/h1-14H,15-17H2,(H,25,27)(H,26,29).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 418.45 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 7833383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).