tert-butyl 2-benzhydryliminoacetate

C19H21NO2 — CID 11335413

IUPACtert-butyl 2-benzhydryliminoacetate
SMILESCC(C)(C)OC(=O)/C=N/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/h4-14,18H,1-3H3/b20-14+
InChIKeyQXNFIVBTIUXSBP-XSFVSMFZSA-N
MW295.38 g/mol
LogP4.19
Rot. Bonds4

About tert-butyl 2-benzhydryliminoacetate

tert-butyl 2-benzhydryliminoacetate (PubChem CID 11335413) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl 2-benzhydryliminoacetate.

Molecular Properties

Compound Nametert-butyl 2-benzhydryliminoacetate
PubChem CID11335413
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nametert-butyl 2-benzhydryliminoacetate
SMILESCC(C)(C)OC(=O)/C=N/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/h4-14,18H,1-3H3/b20-14+
InChIKeyQXNFIVBTIUXSBP-XSFVSMFZSA-N
XLogP4.19
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 ≤ 54.19
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-benzhydryliminoacetate?
The IUPAC name of tert-butyl 2-benzhydryliminoacetate (CID 11335413) is tert-butyl 2-benzhydryliminoacetate.
What is the SMILES notation for tert-butyl 2-benzhydryliminoacetate?
The canonical SMILES for tert-butyl 2-benzhydryliminoacetate is CC(C)(C)OC(=O)/C=N/C(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl 2-benzhydryliminoacetate?
The InChIKey is QXNFIVBTIUXSBP-XSFVSMFZSA-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/h4-14,18H,1-3H3/b20-14+.
What are the key properties of tert-butyl 2-benzhydryliminoacetate?
tert-butyl 2-benzhydryliminoacetate has a molecular weight of 295.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-benzhydryliminoacetate is sourced from PubChem (CID 11335413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).