benzyl 2-(benzhydrylideneamino)acetate

C22H19NO2 — CID 11782449

IUPACbenzyl 2-(benzhydrylideneamino)acetate
SMILESO=C(CN=C(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H19NO2/c24-21(25-17-18-10-4-1-5-11-18)16-23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyKFNIDRLZPBRDNJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.27
Rot. Bonds6

About benzyl 2-(benzhydrylideneamino)acetate

benzyl 2-(benzhydrylideneamino)acetate (PubChem CID 11782449) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is benzyl 2-(benzhydrylideneamino)acetate.

Molecular Properties

Compound Namebenzyl 2-(benzhydrylideneamino)acetate
PubChem CID11782449
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Namebenzyl 2-(benzhydrylideneamino)acetate
SMILESO=C(CN=C(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H19NO2/c24-21(25-17-18-10-4-1-5-11-18)16-23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyKFNIDRLZPBRDNJ-UHFFFAOYSA-N
XLogP4.27
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.27
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-(benzhydrylideneamino)acetate?
The IUPAC name of benzyl 2-(benzhydrylideneamino)acetate (CID 11782449) is benzyl 2-(benzhydrylideneamino)acetate.
What is the SMILES notation for benzyl 2-(benzhydrylideneamino)acetate?
The canonical SMILES for benzyl 2-(benzhydrylideneamino)acetate is O=C(CN=C(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(benzhydrylideneamino)acetate?
The InChIKey is KFNIDRLZPBRDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c24-21(25-17-18-10-4-1-5-11-18)16-23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of benzyl 2-(benzhydrylideneamino)acetate?
benzyl 2-(benzhydrylideneamino)acetate has a molecular weight of 329.40 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(benzhydrylideneamino)acetate is sourced from PubChem (CID 11782449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).