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

C18H19NO3 — CID 169471202

IUPACbenzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(CO)cc1)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-13-16-10-8-15(9-11-16)7-4-12-19-18(21)22-14-17-5-2-1-3-6-17/h1-11,20H,12-14H2,(H,19,21)
InChIKeyNZUZZRGNILYWER-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.12
Rot. Bonds6

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

benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate (PubChem CID 169471202) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
PubChem CID169471202
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(CO)cc1)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-13-16-10-8-15(9-11-16)7-4-12-19-18(21)22-14-17-5-2-1-3-6-17/h1-11,20H,12-14H2,(H,19,21)
InChIKeyNZUZZRGNILYWER-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327
benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate
CID 169471837
benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471444
benzyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169471954
benzyl N-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169472177
benzyl N-[3-(4-isocyanatophenyl)prop-2-enyl]carbamate
CID 169471719
benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate
CID 169472783
benzyl N-[3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471497
benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169471167
benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate (CID 169471202) is benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate is O=C(NCC=Cc1ccc(CO)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The InChIKey is NZUZZRGNILYWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-13-16-10-8-15(9-11-16)7-4-12-19-18(21)22-14-17-5-2-1-3-6-17/h1-11,20H,12-14H2,(H,19,21).
What are the key properties of benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169471202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).