benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate

C19H19NO2 — CID 169471136

IUPACbenzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
SMILESC=Cc1ccc(C=CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c1-2-16-10-12-17(13-11-16)9-6-14-20-19(21)22-15-18-7-4-3-5-8-18/h2-13H,1,14-15H2,(H,20,21)
InChIKeyZKEADNKEJDGNJV-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.27
Rot. Bonds6

About benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate

benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate (PubChem CID 169471136) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
PubChem CID169471136
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Namebenzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
SMILESC=Cc1ccc(C=CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c1-2-16-10-12-17(13-11-16)9-6-14-20-19(21)22-15-18-7-4-3-5-8-18/h2-13H,1,14-15H2,(H,20,21)
InChIKeyZKEADNKEJDGNJV-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327
benzyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169471954
benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate
CID 169471837
benzyl N-[3-(4-isocyanatophenyl)prop-2-enyl]carbamate
CID 169471719
benzyl N-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169472177
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169471167
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386
benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate
CID 169472783
benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate
CID 169472339
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate (CID 169471136) is benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate is C=Cc1ccc(C=CCNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate?
The InChIKey is ZKEADNKEJDGNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-16-10-12-17(13-11-16)9-6-14-20-19(21)22-15-18-7-4-3-5-8-18/h2-13H,1,14-15H2,(H,20,21).
What are the key properties of benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate?
benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate has a molecular weight of 293.37 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).