tert-butyl N-(1-phenylcyclobutyl)carbamate

C15H21NO2 — CID 113091487

IUPACtert-butyl N-(1-phenylcyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C15H21NO2/c1-14(2,3)18-13(17)16-15(10-7-11-15)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,16,17)
InChIKeyZFVQFQOLZGZJPE-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.59
Rot. Bonds2

About tert-butyl N-(1-phenylcyclobutyl)carbamate

tert-butyl N-(1-phenylcyclobutyl)carbamate (PubChem CID 113091487) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is tert-butyl N-(1-phenylcyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-phenylcyclobutyl)carbamate
PubChem CID113091487
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nametert-butyl N-(1-phenylcyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C15H21NO2/c1-14(2,3)18-13(17)16-15(10-7-11-15)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,16,17)
InChIKeyZFVQFQOLZGZJPE-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-phenylcyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(1-phenylcyclobutyl)carbamate (CID 113091487) is tert-butyl N-(1-phenylcyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-phenylcyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(1-phenylcyclobutyl)carbamate is CC(C)(C)OC(=O)NC1(c2ccccc2)CCC1.
What is the InChIKey of tert-butyl N-(1-phenylcyclobutyl)carbamate?
The InChIKey is ZFVQFQOLZGZJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-14(2,3)18-13(17)16-15(10-7-11-15)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(1-phenylcyclobutyl)carbamate?
tert-butyl N-(1-phenylcyclobutyl)carbamate has a molecular weight of 247.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenylcyclobutyl)carbamate is sourced from PubChem (CID 113091487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).