tert-butyl N-amino-N-phenylcarbamate

C11H16N2O2 — CID 11160087

IUPACtert-butyl N-amino-N-phenylcarbamate
SMILESCC(C)(C)OC(=O)N(N)c1ccccc1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13(12)9-7-5-4-6-8-9/h4-8H,12H2,1-3H3
InChIKeyNLQZMWDNQGOWHY-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.30
Rot. Bonds1

About tert-butyl N-amino-N-phenylcarbamate

tert-butyl N-amino-N-phenylcarbamate (PubChem CID 11160087) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is tert-butyl N-amino-N-phenylcarbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-phenylcarbamate
PubChem CID11160087
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nametert-butyl N-amino-N-phenylcarbamate
SMILESCC(C)(C)OC(=O)N(N)c1ccccc1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13(12)9-7-5-4-6-8-9/h4-8H,12H2,1-3H3
InChIKeyNLQZMWDNQGOWHY-UHFFFAOYSA-N
XLogP2.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-amino-N-phenylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

CID 676311
CID 676311
CID 316146
CID 316146
CID 137930
CID 137930
CID 688611
CID 688611
CID 2773612
CID 2773612
CID 3729801
CID 3729801
CID 4935500
CID 4935500
CID 10245369
CID 10245369
CID 12877220
CID 12877220
CID 12047797
CID 12047797
CID 20366964
CID 20366964
CID 4935450
CID 4935450

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-phenylcarbamate?
The IUPAC name of tert-butyl N-amino-N-phenylcarbamate (CID 11160087) is tert-butyl N-amino-N-phenylcarbamate.
What is the SMILES notation for tert-butyl N-amino-N-phenylcarbamate?
The canonical SMILES for tert-butyl N-amino-N-phenylcarbamate is CC(C)(C)OC(=O)N(N)c1ccccc1.
What is the InChIKey of tert-butyl N-amino-N-phenylcarbamate?
The InChIKey is NLQZMWDNQGOWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13(12)9-7-5-4-6-8-9/h4-8H,12H2,1-3H3.
What are the key properties of tert-butyl N-amino-N-phenylcarbamate?
tert-butyl N-amino-N-phenylcarbamate has a molecular weight of 208.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-phenylcarbamate is sourced from PubChem (CID 11160087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).