6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide

C21H23NO2 — CID 142841232

IUPAC6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1ccc2cc(OC/C3=C/C/C=C\CCC3)ccc2c1
InChIInChI=1S/C21H23NO2/c1-22-21(23)19-10-9-18-14-20(12-11-17(18)13-19)24-15-16-7-5-3-2-4-6-8-16/h2-3,7,9-14H,4-6,8,15H2,1H3,(H,22,23)/b3-2-,16-7+
InChIKeyCJRTXYDMBCGSPI-FWABSBKYSA-N
MW321.42 g/mol
LogP4.63
Rot. Bonds4

About 6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide

6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide (PubChem CID 142841232) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide
PubChem CID142841232
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1ccc2cc(OC/C3=C/C/C=C\CCC3)ccc2c1
InChIInChI=1S/C21H23NO2/c1-22-21(23)19-10-9-18-14-20(12-11-17(18)13-19)24-15-16-7-5-3-2-4-6-8-16/h2-3,7,9-14H,4-6,8,15H2,1H3,(H,22,23)/b3-2-,16-7+
InChIKeyCJRTXYDMBCGSPI-FWABSBKYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxyethoxymethoxy)-N-methylnaphthalene-2-carboxamide
CID 141090220
1-chloro-4-(cyclopenten-1-ylmethoxy)benzene
CID 131001139
N-methyl-4-phenylmethoxybenzamide
CID 2996745
4-[[6-[3-[2-(dimethylamino)imidazol-1-yl]propyl]naphthalen-2-yl]oxymethyl]-N-methylbenzamide
CID 66958304
3-hydroxy-2-N,7-N-dimethylnaphthalene-2,7-dicarboxamide
CID 59002091
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 703716
[4-(methylamino)phenyl] 4-[(6-acetylnaphthalen-2-yl)oxymethyl]benzoate
CID 20591302
N-methyl-4-[2-(methylamino)ethoxy]benzamide
CID 19915722
N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 25163593
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420
N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide
CID 17489789

Frequently Asked Questions

What is the IUPAC name of 6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide (CID 142841232) is 6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide is CNC(=O)c1ccc2cc(OC/C3=C/C/C=C\CCC3)ccc2c1.
What is the InChIKey of 6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide?
The InChIKey is CJRTXYDMBCGSPI-FWABSBKYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-22-21(23)19-10-9-18-14-20(12-11-17(18)13-19)24-15-16-7-5-3-2-4-6-8-16/h2-3,7,9-14H,4-6,8,15H2,1H3,(H,22,23)/b3-2-,16-7+.
What are the key properties of 6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide?
6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1E,4Z)-cycloocta-1,4-dien-1-yl]methoxy]-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 142841232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).