tert-butyl N-[(4-ethenylphenyl)methyl]carbamate

C14H19NO2 — CID 86169082

IUPACtert-butyl N-[(4-ethenylphenyl)methyl]carbamate
SMILESC=Cc1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H19NO2/c1-5-11-6-8-12(9-7-11)10-15-13(16)17-14(2,3)4/h5-9H,1,10H2,2-4H3,(H,15,16)
InChIKeyBLZYHGGIQIGULI-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.35
Rot. Bonds3

About tert-butyl N-[(4-ethenylphenyl)methyl]carbamate

tert-butyl N-[(4-ethenylphenyl)methyl]carbamate (PubChem CID 86169082) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl N-[(4-ethenylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-ethenylphenyl)methyl]carbamate
PubChem CID86169082
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametert-butyl N-[(4-ethenylphenyl)methyl]carbamate
SMILESC=Cc1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H19NO2/c1-5-11-6-8-12(9-7-11)10-15-13(16)17-14(2,3)4/h5-9H,1,10H2,2-4H3,(H,15,16)
InChIKeyBLZYHGGIQIGULI-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(4-formylphenyl)methyl]carbamate;molecular hydrogen
CID 143920464
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
dimethyl (2E)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylidene]butanedioate
CID 82581311
tert-butyl N-[[4-[(S)-methylsulfinyl]phenyl]methyl]carbamate
CID 95974235
methanidyl-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]azanium
CID 87107169
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoate
CID 164529549
tert-butyl N-[[4-[(diaminoamino)methyl]phenyl]methyl]carbamate
CID 166772321
tert-butyl N-[[4-(cyanomethyl)phenyl]methyl]carbamate
CID 131850271
tert-butyl N-[[4-[[(E)-2-ethenylbut-2-enoyl]amino]phenyl]methyl]carbamate;ethane
CID 176920069
tert-butyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 63787638
tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate
CID 82539735

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-ethenylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-ethenylphenyl)methyl]carbamate (CID 86169082) is tert-butyl N-[(4-ethenylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-ethenylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-ethenylphenyl)methyl]carbamate is C=Cc1ccc(CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(4-ethenylphenyl)methyl]carbamate?
The InChIKey is BLZYHGGIQIGULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-11-6-8-12(9-7-11)10-15-13(16)17-14(2,3)4/h5-9H,1,10H2,2-4H3,(H,15,16).
What are the key properties of tert-butyl N-[(4-ethenylphenyl)methyl]carbamate?
tert-butyl N-[(4-ethenylphenyl)methyl]carbamate has a molecular weight of 233.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-ethenylphenyl)methyl]carbamate is sourced from PubChem (CID 86169082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).