tert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate

C17H23NO3 — CID 11312302

IUPACtert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate
SMILESC=CCON(C(=O)OC(C)(C)C)C(C=C)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-6-13-20-18(16(19)21-17(3,4)5)15(7-2)14-11-9-8-10-12-14/h6-12,15H,1-2,13H2,3-5H3
InChIKeyUNIJPIKCJNPGDA-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.27
Rot. Bonds6

About tert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate

tert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate (PubChem CID 11312302) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is tert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate
PubChem CID11312302
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nametert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate
SMILESC=CCON(C(=O)OC(C)(C)C)C(C=C)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-6-13-20-18(16(19)21-17(3,4)5)15(7-2)14-11-9-8-10-12-14/h6-12,15H,1-2,13H2,3-5H3
InChIKeyUNIJPIKCJNPGDA-UHFFFAOYSA-N
XLogP4.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.27
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-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate?
The IUPAC name of tert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate (CID 11312302) is tert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate.
What is the SMILES notation for tert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate?
The canonical SMILES for tert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate is C=CCON(C(=O)OC(C)(C)C)C(C=C)c1ccccc1.
What is the InChIKey of tert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate?
The InChIKey is UNIJPIKCJNPGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-6-13-20-18(16(19)21-17(3,4)5)15(7-2)14-11-9-8-10-12-14/h6-12,15H,1-2,13H2,3-5H3.
What are the key properties of tert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate?
tert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate has a molecular weight of 289.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate is sourced from PubChem (CID 11312302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).