tert-butyl N-amino-N-(4-methylphenyl)carbamate

C12H18N2O2 — CID 11310610

IUPACtert-butyl N-amino-N-(4-methylphenyl)carbamate
SMILESCc1ccc(N(N)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-9-5-7-10(8-6-9)14(13)11(15)16-12(2,3)4/h5-8H,13H2,1-4H3
InChIKeyJDBWDRKQBPSSIE-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.61
Rot. Bonds1

About tert-butyl N-amino-N-(4-methylphenyl)carbamate

tert-butyl N-amino-N-(4-methylphenyl)carbamate (PubChem CID 11310610) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is tert-butyl N-amino-N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-(4-methylphenyl)carbamate
PubChem CID11310610
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nametert-butyl N-amino-N-(4-methylphenyl)carbamate
SMILESCc1ccc(N(N)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-9-5-7-10(8-6-9)14(13)11(15)16-12(2,3)4/h5-8H,13H2,1-4H3
InChIKeyJDBWDRKQBPSSIE-UHFFFAOYSA-N
XLogP2.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.61
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-(4-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-amino-N-(4-methylphenyl)carbamate (CID 11310610) is tert-butyl N-amino-N-(4-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-amino-N-(4-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-amino-N-(4-methylphenyl)carbamate is Cc1ccc(N(N)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-amino-N-(4-methylphenyl)carbamate?
The InChIKey is JDBWDRKQBPSSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-7-10(8-6-9)14(13)11(15)16-12(2,3)4/h5-8H,13H2,1-4H3.
What are the key properties of tert-butyl N-amino-N-(4-methylphenyl)carbamate?
tert-butyl N-amino-N-(4-methylphenyl)carbamate has a molecular weight of 222.29 g/mol, XLogP of 2.61, 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-(4-methylphenyl)carbamate is sourced from PubChem (CID 11310610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).