tert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate

C15H21NO4 — CID 87532923

IUPACtert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCOc1ccccc1)C1CO1
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(17)16(13-11-19-13)9-10-18-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKeyGAEMCZJRVMGBOO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.66
Rot. Bonds5

About tert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate

tert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate (PubChem CID 87532923) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate
PubChem CID87532923
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nametert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCOc1ccccc1)C1CO1
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(17)16(13-11-19-13)9-10-18-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKeyGAEMCZJRVMGBOO-UHFFFAOYSA-N
XLogP2.66
TPSA51.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate?
The IUPAC name of tert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate (CID 87532923) is tert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate is CC(C)(C)OC(=O)N(CCOc1ccccc1)C1CO1.
What is the InChIKey of tert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate?
The InChIKey is GAEMCZJRVMGBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)20-14(17)16(13-11-19-13)9-10-18-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3.
What are the key properties of tert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate?
tert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate has a molecular weight of 279.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(oxiran-2-yl)-N-(2-phenoxyethyl)carbamate is sourced from PubChem (CID 87532923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).