tert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate

C26H28N2O2 — CID 166441381

IUPACtert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-26(2,3)30-25(29)27-19-23(20-13-7-4-8-14-20)28-24(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,27,29)
InChIKeyAWZAJUUGBLOLQM-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.79
Rot. Bonds6

About tert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate

tert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate (PubChem CID 166441381) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is tert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate
PubChem CID166441381
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Nametert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-26(2,3)30-25(29)27-19-23(20-13-7-4-8-14-20)28-24(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,27,29)
InChIKeyAWZAJUUGBLOLQM-UHFFFAOYSA-N
XLogP5.79
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.79
H-Bond Donors ≤ 51
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 N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate (CID 166441381) is tert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate is CC(C)(C)OC(=O)NCC(N=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate?
The InChIKey is AWZAJUUGBLOLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-26(2,3)30-25(29)27-19-23(20-13-7-4-8-14-20)28-24(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,27,29).
What are the key properties of tert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate?
tert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate has a molecular weight of 400.52 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(benzhydrylideneamino)-2-phenylethyl]carbamate is sourced from PubChem (CID 166441381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).