tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid

C14H19NO2 — CID 67182914

IUPACtert-butyl-[(2-ethenylphenyl)methyl]carbamic acid
SMILESC=Cc1ccccc1CN(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H19NO2/c1-5-11-8-6-7-9-12(11)10-15(13(16)17)14(2,3)4/h5-9H,1,10H2,2-4H3,(H,16,17)
InChIKeyNCGIXTVERXVKFT-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.61
Rot. Bonds3

About tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid

tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid (PubChem CID 67182914) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2-ethenylphenyl)methyl]carbamic acid
PubChem CID67182914
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametert-butyl-[(2-ethenylphenyl)methyl]carbamic acid
SMILESC=Cc1ccccc1CN(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H19NO2/c1-5-11-8-6-7-9-12(11)10-15(13(16)17)14(2,3)4/h5-9H,1,10H2,2-4H3,(H,16,17)
InChIKeyNCGIXTVERXVKFT-UHFFFAOYSA-N
XLogP3.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl-[(2-ethenylphenyl)methyl]carbamic acid
CID 19037167
tert-butyl-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbamic acid
CID 67461831
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
ethane;1-ethenyl-2-ethylbenzene;1,1,1-trifluoroethane
CID 145463333
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine
CID 122203539
2-(2-ethenylphenyl)-N,N-diethylacetamide
CID 122394792
tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid
CID 118692225
(2R)-2-amino-2-(2-ethenylphenyl)propanoic acid
CID 130657894
acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
5-(2-ethenylphenyl)pentanoic acid
CID 91512730
1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine
CID 146208765

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid?
The IUPAC name of tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid (CID 67182914) is tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid?
The canonical SMILES for tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid is C=Cc1ccccc1CN(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid?
The InChIKey is NCGIXTVERXVKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-11-8-6-7-9-12(11)10-15(13(16)17)14(2,3)4/h5-9H,1,10H2,2-4H3,(H,16,17).
What are the key properties of tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid?
tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid has a molecular weight of 233.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid is sourced from PubChem (CID 67182914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).