N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide

C21H24N2O2 — CID 3956222

IUPACN-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide
SMILESCC(C)=CCCC(C)=CC=NNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C21H24N2O2/c1-15(2)7-6-8-16(3)11-12-22-23-21(25)19-13-17-9-4-5-10-18(17)14-20(19)24/h4-5,7,9-14,24H,6,8H2,1-3H3,(H,23,25)
InChIKeyLUSGZIYPXAIGSU-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.95
Rot. Bonds6

About N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide

N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide (PubChem CID 3956222) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide
PubChem CID3956222
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide
SMILESCC(C)=CCCC(C)=CC=NNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C21H24N2O2/c1-15(2)7-6-8-16(3)11-12-22-23-21(25)19-13-17-9-4-5-10-18(17)14-20(19)24/h4-5,7,9-14,24H,6,8H2,1-3H3,(H,23,25)
InChIKeyLUSGZIYPXAIGSU-UHFFFAOYSA-N
XLogP4.95
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,7-dimethylocta-2,6-dienylideneamino)-2-hydroxybenzamide
CID 2827312
N-(3,7-dimethylocta-2,6-dienylideneamino)-2-nitrobenzamide
CID 535330
4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide
CID 129460373
3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide
CID 6263341
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide
CID 6906295
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide
CID 3305343
methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 9212359
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 144974001
3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide
CID 4553526

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide (CID 3956222) is N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide is CC(C)=CCCC(C)=CC=NNC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is LUSGZIYPXAIGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(2)7-6-8-16(3)11-12-22-23-21(25)19-13-17-9-4-5-10-18(17)14-20(19)24/h4-5,7,9-14,24H,6,8H2,1-3H3,(H,23,25).
What are the key properties of N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide?
N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 3956222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).