tert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate

C15H21NO3 — CID 14227178

IUPACtert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate
SMILESC=CCN(OCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-5-11-16(14(17)19-15(2,3)4)18-12-13-9-7-6-8-10-13/h5-10H,1,11-12H2,2-4H3
InChIKeyQPEVGDGKZVUEHU-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.54
Rot. Bonds5

About tert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate

tert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate (PubChem CID 14227178) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate
PubChem CID14227178
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate
SMILESC=CCN(OCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-5-11-16(14(17)19-15(2,3)4)18-12-13-9-7-6-8-10-13/h5-10H,1,11-12H2,2-4H3
InChIKeyQPEVGDGKZVUEHU-UHFFFAOYSA-N
XLogP3.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-phenylmethoxy-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate (CID 14227178) is tert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate is C=CCN(OCc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate?
The InChIKey is QPEVGDGKZVUEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-11-16(14(17)19-15(2,3)4)18-12-13-9-7-6-8-10-13/h5-10H,1,11-12H2,2-4H3.
What are the key properties of tert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate?
tert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate has a molecular weight of 263.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-phenylmethoxy-N-prop-2-enylcarbamate is sourced from PubChem (CID 14227178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).