tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate

C14H19NO3 — CID 68626406

IUPACtert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)c1ccc(O)cc1
InChIInChI=1S/C14H19NO3/c1-5-10-15(13(17)18-14(2,3)4)11-6-8-12(16)9-7-11/h5-9,16H,1,10H2,2-4H3
InChIKeyANOFMZXCCNNWHT-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.32
Rot. Bonds3

About tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate

tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate (PubChem CID 68626406) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate
PubChem CID68626406
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)c1ccc(O)cc1
InChIInChI=1S/C14H19NO3/c1-5-10-15(13(17)18-14(2,3)4)11-6-8-12(16)9-7-11/h5-9,16H,1,10H2,2-4H3
InChIKeyANOFMZXCCNNWHT-UHFFFAOYSA-N
XLogP3.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3-bromo-4-methylphenyl)-N-prop-2-enylcarbamate
CID 176883752
tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate
CID 87378206
tert-butyl N-(2-chloro-3-pyridinyl)-N-prop-2-enylcarbamate
CID 86639381
tert-butyl N-[1-oxo-1-(N-prop-2-enylanilino)pent-4-en-2-yl]carbamate
CID 77475220
tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate
CID 11380287
tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
CID 69212492
tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate
CID 11680858
tert-butyl N-pent-4-en-1-ynyl-N-phenylcarbamate
CID 165179783
tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate
CID 151301292
tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate
CID 125116625
tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
CID 68614271
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
CID 43275716

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate (CID 68626406) is tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate?
The InChIKey is ANOFMZXCCNNWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-5-10-15(13(17)18-14(2,3)4)11-6-8-12(16)9-7-11/h5-9,16H,1,10H2,2-4H3.
What are the key properties of tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate?
tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate has a molecular weight of 249.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 68626406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).