methyl 2-(benzylamino)-2,3-diphenylpropanoate

C23H23NO2 — CID 113225267

IUPACmethyl 2-(benzylamino)-2,3-diphenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2/c1-26-22(25)23(21-15-9-4-10-16-21,17-19-11-5-2-6-12-19)24-18-20-13-7-3-8-14-20/h2-16,24H,17-18H2,1H3
InChIKeyQSWMLYCXLDQPDJ-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.09
Rot. Bonds7

About methyl 2-(benzylamino)-2,3-diphenylpropanoate

methyl 2-(benzylamino)-2,3-diphenylpropanoate (PubChem CID 113225267) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is methyl 2-(benzylamino)-2,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(benzylamino)-2,3-diphenylpropanoate
PubChem CID113225267
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Namemethyl 2-(benzylamino)-2,3-diphenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2/c1-26-22(25)23(21-15-9-4-10-16-21,17-19-11-5-2-6-12-19)24-18-20-13-7-3-8-14-20/h2-16,24H,17-18H2,1H3
InChIKeyQSWMLYCXLDQPDJ-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382
2-(ethylamino)-2,3-diphenylpropanamide
CID 60787050
methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
dimethyl 2-amino-2-benzylpropanedioate
CID 134836854
methyl (2S)-3-amino-2-benzyl-2-methyl-3-oxopropanoate
CID 10933012
methyl (2S)-2,3-diamino-2-benzyl-3-oxopropanoate
CID 134588871
methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
CID 57421207
methyl (2R)-2-amino-2-benzyl-3,3,3-trifluoropropanoate
CID 10922854
methyl (2S)-2-[(5-nitrothiophen-3-yl)methylamino]-2-phenylbutanoate
CID 95307568
(2S)-2-benzyl-2-methoxycarbonylbutanoic acid
CID 45141431
methyl (2S)-2-benzyl-2-hydroxy-3-oxobutanoate
CID 101479672

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzylamino)-2,3-diphenylpropanoate?
The IUPAC name of methyl 2-(benzylamino)-2,3-diphenylpropanoate (CID 113225267) is methyl 2-(benzylamino)-2,3-diphenylpropanoate.
What is the SMILES notation for methyl 2-(benzylamino)-2,3-diphenylpropanoate?
The canonical SMILES for methyl 2-(benzylamino)-2,3-diphenylpropanoate is COC(=O)C(Cc1ccccc1)(NCc1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(benzylamino)-2,3-diphenylpropanoate?
The InChIKey is QSWMLYCXLDQPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-26-22(25)23(21-15-9-4-10-16-21,17-19-11-5-2-6-12-19)24-18-20-13-7-3-8-14-20/h2-16,24H,17-18H2,1H3.
What are the key properties of methyl 2-(benzylamino)-2,3-diphenylpropanoate?
methyl 2-(benzylamino)-2,3-diphenylpropanoate has a molecular weight of 345.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylamino)-2,3-diphenylpropanoate is sourced from PubChem (CID 113225267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).