tert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate

C17H22N2O2 — CID 66523421

IUPACtert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(N)c1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)19-11-15(18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,11,18H2,1-3H3,(H,19,20)
InChIKeyGPXKIJMETNRECD-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.36
Rot. Bonds3

About tert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate

tert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate (PubChem CID 66523421) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is tert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate
PubChem CID66523421
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nametert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(N)c1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)19-11-15(18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,11,18H2,1-3H3,(H,19,20)
InChIKeyGPXKIJMETNRECD-UHFFFAOYSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate (CID 66523421) is tert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate is CC(C)(C)OC(=O)NCC(N)c1ccc2ccccc2c1.
What is the InChIKey of tert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate?
The InChIKey is GPXKIJMETNRECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)19-11-15(18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,11,18H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate?
tert-butyl N-(2-amino-2-naphthalen-2-ylethyl)carbamate has a molecular weight of 286.38 g/mol, XLogP of 3.36, 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-amino-2-naphthalen-2-ylethyl)carbamate is sourced from PubChem (CID 66523421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).