tert-butyl 2-(benzhydrylideneamino)acetate

C19H21NO2 — CID 688171

IUPACtert-butyl 2-(benzhydrylideneamino)acetate
SMILESCC(C)(C)OC(=O)CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-19(2,3)22-17(21)14-20-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeyYSHDPXQDVKNPKA-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.87
Rot. Bonds4

About tert-butyl 2-(benzhydrylideneamino)acetate

tert-butyl 2-(benzhydrylideneamino)acetate (PubChem CID 688171) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl 2-(benzhydrylideneamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(benzhydrylideneamino)acetate
PubChem CID688171
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nametert-butyl 2-(benzhydrylideneamino)acetate
SMILESCC(C)(C)OC(=O)CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-19(2,3)22-17(21)14-20-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeyYSHDPXQDVKNPKA-UHFFFAOYSA-N
XLogP3.87
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.87
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 tert-butyl 2-(benzhydrylideneamino)acetate?
The IUPAC name of tert-butyl 2-(benzhydrylideneamino)acetate (CID 688171) is tert-butyl 2-(benzhydrylideneamino)acetate.
What is the SMILES notation for tert-butyl 2-(benzhydrylideneamino)acetate?
The canonical SMILES for tert-butyl 2-(benzhydrylideneamino)acetate is CC(C)(C)OC(=O)CN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl 2-(benzhydrylideneamino)acetate?
The InChIKey is YSHDPXQDVKNPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2,3)22-17(21)14-20-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3.
What are the key properties of tert-butyl 2-(benzhydrylideneamino)acetate?
tert-butyl 2-(benzhydrylideneamino)acetate has a molecular weight of 295.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(benzhydrylideneamino)acetate is sourced from PubChem (CID 688171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).