tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate

C15H22N2O2 — CID 84710803

IUPACtert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1CC1CCN1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13-7-5-4-6-11(13)10-12-8-9-16-12/h4-7,12,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyARGVVFIILMDSRE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate

tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate (PubChem CID 84710803) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate
PubChem CID84710803
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1CC1CCN1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13-7-5-4-6-11(13)10-12-8-9-16-12/h4-7,12,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyARGVVFIILMDSRE-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate (CID 84710803) is tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1CC1CCN1.
What is the InChIKey of tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate?
The InChIKey is ARGVVFIILMDSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13-7-5-4-6-11(13)10-12-8-9-16-12/h4-7,12,16H,8-10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate?
tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate is sourced from PubChem (CID 84710803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).