[6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate

C20H24N2O2 — CID 69156225

IUPAC[6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate
SMILESCCCCCCNC(=O)Oc1cccc(C=Cc2ccccc2)n1
InChIInChI=1S/C20H24N2O2/c1-2-3-4-8-16-21-20(23)24-19-13-9-12-18(22-19)15-14-17-10-6-5-7-11-17/h5-7,9-15H,2-4,8,16H2,1H3,(H,21,23)
InChIKeyOZNLWGGAOATFMR-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.92
Rot. Bonds8

About [6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate

[6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate (PubChem CID 69156225) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate.

Molecular Properties

Compound Name[6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate
PubChem CID69156225
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate
SMILESCCCCCCNC(=O)Oc1cccc(C=Cc2ccccc2)n1
InChIInChI=1S/C20H24N2O2/c1-2-3-4-8-16-21-20(23)24-19-13-9-12-18(22-19)15-14-17-10-6-5-7-11-17/h5-7,9-15H,2-4,8,16H2,1H3,(H,21,23)
InChIKeyOZNLWGGAOATFMR-UHFFFAOYSA-N
XLogP4.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-6-(2-phenylethenyl)pyridine-2-carboxamide
CID 54031463
(E)-N-(heptylcarbamothioyl)-3-phenylprop-2-enamide
CID 6119188
(2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide
CID 70372352
2-methoxy-N-octyl-3-phenylprop-2-enamide
CID 69178102
quinolin-6-yl N-hexylcarbamate
CID 11587138
(2S,3R)-N-dodecyl-3-hydroxy-2-[[(E)-3-phenylprop-2-enoyl]amino]butanamide
CID 74223433
1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea
CID 142667053
1-dodecyl-3-phenylurea
CID 3697946
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
2,2-diethyl-4-[3-[2-[6-[5-(4-hydroxy-3,5-dimethylphenyl)pentoxy]-2-pyridinyl]ethenyl]anilino]butanoic acid
CID 67877711
4-N,5-N,10-N,11-N,16-N,17-N-hexahexyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene-4,5,10,11,16,17-hexacarboxamide
CID 14294049
dibenzofuran-2-yl N-hexylcarbamate
CID 15229767

Frequently Asked Questions

What is the IUPAC name of [6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate?
The IUPAC name of [6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate (CID 69156225) is [6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate.
What is the SMILES notation for [6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate?
The canonical SMILES for [6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate is CCCCCCNC(=O)Oc1cccc(C=Cc2ccccc2)n1.
What is the InChIKey of [6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate?
The InChIKey is OZNLWGGAOATFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-3-4-8-16-21-20(23)24-19-13-9-12-18(22-19)15-14-17-10-6-5-7-11-17/h5-7,9-15H,2-4,8,16H2,1H3,(H,21,23).
What are the key properties of [6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate?
[6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate has a molecular weight of 324.42 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-phenylethenyl)-2-pyridinyl] N-hexylcarbamate is sourced from PubChem (CID 69156225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).