ethyl N-(2-aminophenoxy)-N-tert-butylcarbamate

C13H20N2O3 — CID 57233034

IUPACethyl N-(2-aminophenoxy)-N-tert-butylcarbamate
SMILESCCOC(=O)N(Oc1ccccc1N)C(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-5-17-12(16)15(13(2,3)4)18-11-9-7-6-8-10(11)14/h6-9H,5,14H2,1-4H3
InChIKeyVQAPCIWWXHOKMV-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.82
Rot. Bonds3

About ethyl N-(2-aminophenoxy)-N-tert-butylcarbamate

ethyl N-(2-aminophenoxy)-N-tert-butylcarbamate (PubChem CID 57233034) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl N-(2-aminophenoxy)-N-tert-butylcarbamate.

Molecular Properties

Compound Nameethyl N-(2-aminophenoxy)-N-tert-butylcarbamate
PubChem CID57233034
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl N-(2-aminophenoxy)-N-tert-butylcarbamate
SMILESCCOC(=O)N(Oc1ccccc1N)C(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-5-17-12(16)15(13(2,3)4)18-11-9-7-6-8-10(11)14/h6-9H,5,14H2,1-4H3
InChIKeyVQAPCIWWXHOKMV-UHFFFAOYSA-N
XLogP2.82
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 ethyl N-(2-aminophenoxy)-N-tert-butylcarbamate?
The IUPAC name of ethyl N-(2-aminophenoxy)-N-tert-butylcarbamate (CID 57233034) is ethyl N-(2-aminophenoxy)-N-tert-butylcarbamate.
What is the SMILES notation for ethyl N-(2-aminophenoxy)-N-tert-butylcarbamate?
The canonical SMILES for ethyl N-(2-aminophenoxy)-N-tert-butylcarbamate is CCOC(=O)N(Oc1ccccc1N)C(C)(C)C.
What is the InChIKey of ethyl N-(2-aminophenoxy)-N-tert-butylcarbamate?
The InChIKey is VQAPCIWWXHOKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-17-12(16)15(13(2,3)4)18-11-9-7-6-8-10(11)14/h6-9H,5,14H2,1-4H3.
What are the key properties of ethyl N-(2-aminophenoxy)-N-tert-butylcarbamate?
ethyl N-(2-aminophenoxy)-N-tert-butylcarbamate has a molecular weight of 252.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-aminophenoxy)-N-tert-butylcarbamate is sourced from PubChem (CID 57233034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).