phenyl 2-amino-2,2-diphenylacetate

C20H17NO2 — CID 142678162

IUPACphenyl 2-amino-2,2-diphenylacetate
SMILESNC(C(=O)Oc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO2/c21-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)19(22)23-18-14-8-3-9-15-18/h1-15H,21H2
InChIKeyQGPUIHLWWHPKCH-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.49
Rot. Bonds4

About phenyl 2-amino-2,2-diphenylacetate

phenyl 2-amino-2,2-diphenylacetate (PubChem CID 142678162) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is phenyl 2-amino-2,2-diphenylacetate.

Molecular Properties

Compound Namephenyl 2-amino-2,2-diphenylacetate
PubChem CID142678162
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Namephenyl 2-amino-2,2-diphenylacetate
SMILESNC(C(=O)Oc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO2/c21-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)19(22)23-18-14-8-3-9-15-18/h1-15H,21H2
InChIKeyQGPUIHLWWHPKCH-UHFFFAOYSA-N
XLogP3.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl (2R)-2-amino-2-phenylpropanoate
CID 142678159
phenyl 2-amino-2-methylpropanoate
CID 22002021
phenyl 2-chloro-3-hydroxy-2-methyl-3-phenylbutanoate
CID 10638257
2,5-diamino-2-phenoxycarbonylpentanoic acid
CID 139650868
2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate
CID 142147252
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl 2,2-difluoro-2-methylsulfanylacetate
CID 101183893
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
diphenyl 2-methyl-2-methylsulfonylpropanedioate
CID 44634248
2,2,3,3-tetrafluoro-4-oxo-4-phenoxybutanoate
CID 164747391
(4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate
CID 154423526

Frequently Asked Questions

What is the IUPAC name of phenyl 2-amino-2,2-diphenylacetate?
The IUPAC name of phenyl 2-amino-2,2-diphenylacetate (CID 142678162) is phenyl 2-amino-2,2-diphenylacetate.
What is the SMILES notation for phenyl 2-amino-2,2-diphenylacetate?
The canonical SMILES for phenyl 2-amino-2,2-diphenylacetate is NC(C(=O)Oc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of phenyl 2-amino-2,2-diphenylacetate?
The InChIKey is QGPUIHLWWHPKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c21-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)19(22)23-18-14-8-3-9-15-18/h1-15H,21H2.
What are the key properties of phenyl 2-amino-2,2-diphenylacetate?
phenyl 2-amino-2,2-diphenylacetate has a molecular weight of 303.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-amino-2,2-diphenylacetate is sourced from PubChem (CID 142678162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).