tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate

C15H21NO3 — CID 169467097

IUPACtert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1ccc(CO)cc1
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-10-4-5-12-6-8-13(11-17)9-7-12/h4-9,17H,10-11H2,1-3H3,(H,16,18)
InChIKeyTVHMZCAJRTVUFW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.72
Rot. Bonds4

About tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate

tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate (PubChem CID 169467097) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
PubChem CID169467097
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1ccc(CO)cc1
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-10-4-5-12-6-8-13(11-17)9-7-12/h4-9,17H,10-11H2,1-3H3,(H,16,18)
InChIKeyTVHMZCAJRTVUFW-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

benzyl N-(2-hydroxyethyl)carbamate
CID 280458
benzyl N-((2S)-1-hydroxybutan-2-yl)carbamate
CID 10263004
Benzyl N-(3-hydroxypropyl)carbamate
CID 562256
benzyl N-(prop-2-en-1-yl)carbamate
CID 562279
benzyl N-(4-hydroxybutyl)carbamate
CID 3366758
5-(Z-Amino)-1-pentanol
CID 4072414
Carbamic acid, (6-hydroxyhexyl)-, phenylmethyl ester
CID 4184071
benzyl N-(2-methylpropyl)carbamate
CID 14568365
benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate
CID 10262499
benzyl N-[(2R)-1-hydroxybutan-2-yl]carbamate
CID 11020511
Hexyl (2-hydroxy-2-phenylethyl)carbamate
CID 2840978
Pentyl (2-hydroxy-2-phenylethyl)carbamate
CID 2841235

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate (CID 169467097) is tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1ccc(CO)cc1.
What is the InChIKey of tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The InChIKey is TVHMZCAJRTVUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-10-4-5-12-6-8-13(11-17)9-7-12/h4-9,17H,10-11H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
tert-butyl N-[3-[4-(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-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169467097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).