benzyl 2-(benzylideneamino)acetate

C16H15NO2 — CID 19895302

IUPACbenzyl 2-(benzylideneamino)acetate
SMILESO=C(C/N=C/c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H15NO2/c18-16(19-13-15-9-5-2-6-10-15)12-17-11-14-7-3-1-4-8-14/h1-11H,12-13H2/b17-11+
InChIKeyWEYAPKYJJFMXGZ-GZTJUZNOSA-N
MW253.30 g/mol
LogP2.85
Rot. Bonds5

About benzyl 2-(benzylideneamino)acetate

benzyl 2-(benzylideneamino)acetate (PubChem CID 19895302) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is benzyl 2-(benzylideneamino)acetate.

Molecular Properties

Compound Namebenzyl 2-(benzylideneamino)acetate
PubChem CID19895302
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namebenzyl 2-(benzylideneamino)acetate
SMILESO=C(C/N=C/c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H15NO2/c18-16(19-13-15-9-5-2-6-10-15)12-17-11-14-7-3-1-4-8-14/h1-11H,12-13H2/b17-11+
InChIKeyWEYAPKYJJFMXGZ-GZTJUZNOSA-N
XLogP2.85
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.85
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 benzyl 2-(benzylideneamino)acetate?
The IUPAC name of benzyl 2-(benzylideneamino)acetate (CID 19895302) is benzyl 2-(benzylideneamino)acetate.
What is the SMILES notation for benzyl 2-(benzylideneamino)acetate?
The canonical SMILES for benzyl 2-(benzylideneamino)acetate is O=C(C/N=C/c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(benzylideneamino)acetate?
The InChIKey is WEYAPKYJJFMXGZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(19-13-15-9-5-2-6-10-15)12-17-11-14-7-3-1-4-8-14/h1-11H,12-13H2/b17-11+.
What are the key properties of benzyl 2-(benzylideneamino)acetate?
benzyl 2-(benzylideneamino)acetate has a molecular weight of 253.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(benzylideneamino)acetate is sourced from PubChem (CID 19895302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).