tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate

C15H21NO3 — CID 169467099

IUPACtert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1ccccc1CO
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-10-6-9-12-7-4-5-8-13(12)11-17/h4-9,17H,10-11H2,1-3H3,(H,16,18)
InChIKeyOOSXCXVEDAMECD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.72
Rot. Bonds4

About tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate

tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate (PubChem CID 169467099) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
PubChem CID169467099
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1ccccc1CO
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-10-6-9-12-7-4-5-8-13(12)11-17/h4-9,17H,10-11H2,1-3H3,(H,16,18)
InChIKeyOOSXCXVEDAMECD-UHFFFAOYSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate
CID 169467425
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzenesulfonic acid
CID 169468610
benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204
tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate
CID 134839697
tert-butyl N-[3-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]propyl]carbamate
CID 58241890
methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate
CID 169468759
tert-butyl N-[3-(2,3,4-trihydroxyphenyl)prop-2-enyl]carbamate
CID 169468710
tert-butyl N-[3-[3-(hydroxymethyl)-4-methylphenyl]prop-2-enyl]carbamate
CID 169467416
tert-butyl N-[4-[2-fluoro-3-(hydroxymethyl)phenyl]but-3-enyl]carbamate
CID 170490347
methyl 2-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 169468149
tert-butyl N-[3-(2-amino-3-fluorophenyl)prop-2-enyl]carbamate
CID 169467187
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate (CID 169467099) is tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1ccccc1CO.
What is the InChIKey of tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The InChIKey is OOSXCXVEDAMECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-10-6-9-12-7-4-5-8-13(12)11-17/h4-9,17H,10-11H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169467099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).