methyl 2-(benzhydrylamino)-2-phenylacetate

C22H21NO2 — CID 102355499

IUPACmethyl 2-(benzhydrylamino)-2-phenylacetate
SMILESCOC(=O)C(NC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c1-25-22(24)21(19-15-9-4-10-16-19)23-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20-21,23H,1H3
InChIKeyGQWCDAZFKOZKPI-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.28
Rot. Bonds6

About methyl 2-(benzhydrylamino)-2-phenylacetate

methyl 2-(benzhydrylamino)-2-phenylacetate (PubChem CID 102355499) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is methyl 2-(benzhydrylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(benzhydrylamino)-2-phenylacetate
PubChem CID102355499
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Namemethyl 2-(benzhydrylamino)-2-phenylacetate
SMILESCOC(=O)C(NC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c1-25-22(24)21(19-15-9-4-10-16-19)23-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20-21,23H,1H3
InChIKeyGQWCDAZFKOZKPI-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxy-2-oxo-1-phenylethyl)amino]butanoic acid
CID 55036497
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
ethyl (2S)-2-(benzhydrylamino)butanoate
CID 102386822
2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid
CID 103247940
methyl (3S)-3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-2,2-dimethyl-3-phenylpropanoate
CID 101204640
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
(2R)-2-(benzhydrylamino)-N-carbamoyl-2-phenylacetamide
CID 8596163
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2-methylpropanoic acid
CID 62110684
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzhydrylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(benzhydrylamino)-2-phenylacetate (CID 102355499) is methyl 2-(benzhydrylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(benzhydrylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(benzhydrylamino)-2-phenylacetate is COC(=O)C(NC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(benzhydrylamino)-2-phenylacetate?
The InChIKey is GQWCDAZFKOZKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-25-22(24)21(19-15-9-4-10-16-19)23-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20-21,23H,1H3.
What are the key properties of methyl 2-(benzhydrylamino)-2-phenylacetate?
methyl 2-(benzhydrylamino)-2-phenylacetate has a molecular weight of 331.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzhydrylamino)-2-phenylacetate is sourced from PubChem (CID 102355499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).