methyl 2-(benzylideneamino)-2-phenylacetate

C16H15NO2 — CID 3714052

IUPACmethyl 2-(benzylideneamino)-2-phenylacetate
SMILESCOC(=O)C(/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-16(18)15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-12,15H,1H3/b17-12+
InChIKeyCQQDENKZGHVZPX-SFQUDFHCSA-N
MW253.30 g/mol
LogP3.02
Rot. Bonds4

About methyl 2-(benzylideneamino)-2-phenylacetate

methyl 2-(benzylideneamino)-2-phenylacetate (PubChem CID 3714052) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-(benzylideneamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(benzylideneamino)-2-phenylacetate
PubChem CID3714052
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-(benzylideneamino)-2-phenylacetate
SMILESCOC(=O)C(/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-16(18)15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-12,15H,1H3/b17-12+
InChIKeyCQQDENKZGHVZPX-SFQUDFHCSA-N
XLogP3.02
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzylideneamino)-2-phenylacetate?
The IUPAC name of methyl 2-(benzylideneamino)-2-phenylacetate (CID 3714052) is methyl 2-(benzylideneamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(benzylideneamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(benzylideneamino)-2-phenylacetate is COC(=O)C(/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(benzylideneamino)-2-phenylacetate?
The InChIKey is CQQDENKZGHVZPX-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-16(18)15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-12,15H,1H3/b17-12+.
What are the key properties of methyl 2-(benzylideneamino)-2-phenylacetate?
methyl 2-(benzylideneamino)-2-phenylacetate has a molecular weight of 253.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylideneamino)-2-phenylacetate is sourced from PubChem (CID 3714052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).