tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate

C12H18N2O3 — CID 151301292

IUPACtert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(N)Cc1ccc(O)cc1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14(13)8-9-4-6-10(15)7-5-9/h4-7,15H,8,13H2,1-3H3
InChIKeyOCMBIJSWKZTRGG-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.00
Rot. Bonds2

About tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate

tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate (PubChem CID 151301292) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate
PubChem CID151301292
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(N)Cc1ccc(O)cc1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14(13)8-9-4-6-10(15)7-5-9/h4-7,15H,8,13H2,1-3H3
InChIKeyOCMBIJSWKZTRGG-UHFFFAOYSA-N
XLogP2.00
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxyphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate (CID 151301292) is tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate is CC(C)(C)OC(=O)N(N)Cc1ccc(O)cc1.
What is the InChIKey of tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate?
The InChIKey is OCMBIJSWKZTRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14(13)8-9-4-6-10(15)7-5-9/h4-7,15H,8,13H2,1-3H3.
What are the key properties of tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate?
tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate is sourced from PubChem (CID 151301292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).