(2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate

C23H20N2O5 — CID 16596540

IUPAC(2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
SMILESNC(=O)C(OC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H20N2O5/c24-22(27)21(16-7-3-1-4-8-16)30-20(26)15-25-23(28)17-11-13-19(14-12-17)29-18-9-5-2-6-10-18/h1-14,21H,15H2,(H2,24,27)(H,25,28)
InChIKeyHPZDTCCIFBVDLE-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.98
Rot. Bonds8

About (2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate

(2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 16596540) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID16596540
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
SMILESNC(=O)C(OC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H20N2O5/c24-22(27)21(16-7-3-1-4-8-16)30-20(26)15-25-23(28)17-11-13-19(14-12-17)29-18-9-5-2-6-10-18/h1-14,21H,15H2,(H2,24,27)(H,25,28)
InChIKeyHPZDTCCIFBVDLE-UHFFFAOYSA-N
XLogP2.98
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833356
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833353
[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884561
[(1R)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884562
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703332
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 46824068
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833361
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703317
[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833383
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 18286806

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate (CID 16596540) is (2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate is NC(=O)C(OC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is HPZDTCCIFBVDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c24-22(27)21(16-7-3-1-4-8-16)30-20(26)15-25-23(28)17-11-13-19(14-12-17)29-18-9-5-2-6-10-18/h1-14,21H,15H2,(H2,24,27)(H,25,28).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate?
(2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 404.42 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 16596540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).