3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide

C18H20N2O2 — CID 6906295

IUPAC3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide
SMILESC=C(/C=N/NC(=O)c1cc2ccccc2cc1O)CCCC
InChIInChI=1S/C18H20N2O2/c1-3-4-7-13(2)12-19-20-18(22)16-10-14-8-5-6-9-15(14)11-17(16)21/h5-6,8-12,21H,2-4,7H2,1H3,(H,20,22)/b19-12+
InChIKeyBBCHCHDOZSPILB-XDHOZWIPSA-N
MW296.37 g/mol
LogP4.01
Rot. Bonds6

About 3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide (PubChem CID 6906295) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide
PubChem CID6906295
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide
SMILESC=C(/C=N/NC(=O)c1cc2ccccc2cc1O)CCCC
InChIInChI=1S/C18H20N2O2/c1-3-4-7-13(2)12-19-20-18(22)16-10-14-8-5-6-9-15(14)11-17(16)21/h5-6,8-12,21H,2-4,7H2,1H3,(H,20,22)/b19-12+
InChIKeyBBCHCHDOZSPILB-XDHOZWIPSA-N
XLogP4.01
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.01
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 144974001
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6027421
N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 3956222
N'-butyl-3-hydroxynaphthalene-2-carbohydrazide
CID 118418396
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide
CID 3305343
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 126003005
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide
CID 6263341
N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 45109193
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3725484

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide (CID 6906295) is 3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide is C=C(/C=N/NC(=O)c1cc2ccccc2cc1O)CCCC.
What is the InChIKey of 3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide?
The InChIKey is BBCHCHDOZSPILB-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-4-7-13(2)12-19-20-18(22)16-10-14-8-5-6-9-15(14)11-17(16)21/h5-6,8-12,21H,2-4,7H2,1H3,(H,20,22)/b19-12+.
What are the key properties of 3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 6906295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).