[2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate

C23H21NO4 — CID 7834182

IUPAC[2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESO=C(COC(=O)[C@@H](O)c1ccccc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO4/c25-20(16-28-23(27)22(26)19-14-8-3-9-15-19)24-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21-22,26H,16H2,(H,24,25)/t22-/m0/s1
InChIKeyALQKIKULJIPDCR-QFIPXVFZSA-N
MW375.42 g/mol
LogP3.17
Rot. Bonds7

About [2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate

[2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (PubChem CID 7834182) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
PubChem CID7834182
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESO=C(COC(=O)[C@@H](O)c1ccccc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO4/c25-20(16-28-23(27)22(26)19-14-8-3-9-15-19)24-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21-22,26H,16H2,(H,24,25)/t22-/m0/s1
InChIKeyALQKIKULJIPDCR-QFIPXVFZSA-N
XLogP3.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834173
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834280
[2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519942
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-hydroxy-2-phenylacetate
CID 16798756
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834198
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007647
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4852188
[2-(benzhydrylamino)-2-oxoethyl] anthracene-9-carboxylate
CID 23876740
N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915357
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592473
N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696105
[2-(benzhydrylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284631

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (CID 7834182) is [2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is O=C(COC(=O)[C@@H](O)c1ccccc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is ALQKIKULJIPDCR-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21NO4/c25-20(16-28-23(27)22(26)19-14-8-3-9-15-19)24-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21-22,26H,16H2,(H,24,25)/t22-/m0/s1.
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
[2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate has a molecular weight of 375.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 7834182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).