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

C18H16N2O3 — CID 169471696

IUPACbenzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate
SMILESN#Cc1cc(C=CCNC(=O)OCc2ccccc2)ccc1O
InChIInChI=1S/C18H16N2O3/c19-12-16-11-14(8-9-17(16)21)7-4-10-20-18(22)23-13-15-5-2-1-3-6-15/h1-9,11,21H,10,13H2,(H,20,22)
InChIKeyFFOFJGZVWAJYBU-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.20
Rot. Bonds5

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

benzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate (PubChem CID 169471696) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is benzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate
PubChem CID169471696
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namebenzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate
SMILESN#Cc1cc(C=CCNC(=O)OCc2ccccc2)ccc1O
InChIInChI=1S/C18H16N2O3/c19-12-16-11-14(8-9-17(16)21)7-4-10-20-18(22)23-13-15-5-2-1-3-6-15/h1-9,11,21H,10,13H2,(H,20,22)
InChIKeyFFOFJGZVWAJYBU-UHFFFAOYSA-N
XLogP3.20
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471444
benzyl N-[3-(4-hydroxy-3-nitrophenyl)prop-2-enyl]carbamate
CID 169472087
benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate
CID 169471649
6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]naphthalene-2-carboxylic acid
CID 169472555
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386
benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169471167
benzyl N-[3-(4-amino-3-nitrophenyl)prop-2-enyl]carbamate
CID 169471978
benzyl N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]carbamate
CID 169472370
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate (CID 169471696) is benzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate is N#Cc1cc(C=CCNC(=O)OCc2ccccc2)ccc1O.
What is the InChIKey of benzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate?
The InChIKey is FFOFJGZVWAJYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c19-12-16-11-14(8-9-17(16)21)7-4-10-20-18(22)23-13-15-5-2-1-3-6-15/h1-9,11,21H,10,13H2,(H,20,22).
What are the key properties of benzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate?
benzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate has a molecular weight of 308.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).