methyl 2-(benzhydrylideneamino)acetate

C16H15NO2 — CID 563248

IUPACmethyl 2-(benzhydrylideneamino)acetate
SMILESCOC(=O)CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-15(18)12-17-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyPQTOLHHWLUCKSB-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.70
Rot. Bonds4

About methyl 2-(benzhydrylideneamino)acetate

methyl 2-(benzhydrylideneamino)acetate (PubChem CID 563248) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-(benzhydrylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(benzhydrylideneamino)acetate
PubChem CID563248
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-(benzhydrylideneamino)acetate
SMILESCOC(=O)CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-15(18)12-17-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyPQTOLHHWLUCKSB-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(benzhydrylideneamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzhydrylideneamino)acetate?
The IUPAC name of methyl 2-(benzhydrylideneamino)acetate (CID 563248) is methyl 2-(benzhydrylideneamino)acetate.
What is the SMILES notation for methyl 2-(benzhydrylideneamino)acetate?
The canonical SMILES for methyl 2-(benzhydrylideneamino)acetate is COC(=O)CN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(benzhydrylideneamino)acetate?
The InChIKey is PQTOLHHWLUCKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-15(18)12-17-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of methyl 2-(benzhydrylideneamino)acetate?
methyl 2-(benzhydrylideneamino)acetate has a molecular weight of 253.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzhydrylideneamino)acetate is sourced from PubChem (CID 563248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).