tert-butyl N-(benzylamino)carbamate

C12H18N2O2 — CID 10656659

IUPACtert-butyl N-(benzylamino)carbamate
SMILESCC(C)(C)OC(=O)NNCc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)
InChIKeyOPVJBJKJBHTNCE-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.22
Rot. Bonds3

About tert-butyl N-(benzylamino)carbamate

tert-butyl N-(benzylamino)carbamate (PubChem CID 10656659) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is tert-butyl N-(benzylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(benzylamino)carbamate
PubChem CID10656659
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nametert-butyl N-(benzylamino)carbamate
SMILESCC(C)(C)OC(=O)NNCc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)
InChIKeyOPVJBJKJBHTNCE-UHFFFAOYSA-N
XLogP2.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-(benzylamino)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-(benzylamino)carbamate?
The IUPAC name of tert-butyl N-(benzylamino)carbamate (CID 10656659) is tert-butyl N-(benzylamino)carbamate.
What is the SMILES notation for tert-butyl N-(benzylamino)carbamate?
The canonical SMILES for tert-butyl N-(benzylamino)carbamate is CC(C)(C)OC(=O)NNCc1ccccc1.
What is the InChIKey of tert-butyl N-(benzylamino)carbamate?
The InChIKey is OPVJBJKJBHTNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(benzylamino)carbamate?
tert-butyl N-(benzylamino)carbamate has a molecular weight of 222.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(benzylamino)carbamate is sourced from PubChem (CID 10656659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).