tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate

C23H30N2O3 — CID 138987642

IUPACtert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1(O)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H30N2O3/c1-22(2,3)28-21(26)24-15-14-23(27)16-25(17-23)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20,27H,14-17H2,1-3H3,(H,24,26)
InChIKeyIFZBHQLUHXNTJM-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.74
Rot. Bonds6

About tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate

tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate (PubChem CID 138987642) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate
PubChem CID138987642
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Nametert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1(O)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H30N2O3/c1-22(2,3)28-21(26)24-15-14-23(27)16-25(17-23)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20,27H,14-17H2,1-3H3,(H,24,26)
InChIKeyIFZBHQLUHXNTJM-UHFFFAOYSA-N
XLogP3.74
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate (CID 138987642) is tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCC1(O)CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate?
The InChIKey is IFZBHQLUHXNTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-22(2,3)28-21(26)24-15-14-23(27)16-25(17-23)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20,27H,14-17H2,1-3H3,(H,24,26).
What are the key properties of tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate?
tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate has a molecular weight of 382.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate is sourced from PubChem (CID 138987642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).