N-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide

C18H20N2O2 — CID 3623129

IUPACN-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=C1CCCCCC1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H20N2O2/c21-17-12-14-8-6-5-7-13(14)11-16(17)18(22)20-19-15-9-3-1-2-4-10-15/h5-8,11-12,21H,1-4,9-10H2,(H,20,22)
InChIKeyXISTXTRAIFJZRD-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.99
Rot. Bonds2

About N-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide

N-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide (PubChem CID 3623129) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide
PubChem CID3623129
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=C1CCCCCC1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H20N2O2/c21-17-12-14-8-6-5-7-13(14)11-16(17)18(22)20-19-15-9-3-1-2-4-10-15/h5-8,11-12,21H,1-4,9-10H2,(H,20,22)
InChIKeyXISTXTRAIFJZRD-UHFFFAOYSA-N
XLogP3.99
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.99
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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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide (CID 3623129) is N-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide is O=C(NN=C1CCCCCC1)c1cc2ccccc2cc1O.
What is the InChIKey of N-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is XISTXTRAIFJZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17-12-14-8-6-5-7-13(14)11-16(17)18(22)20-19-15-9-3-1-2-4-10-15/h5-8,11-12,21H,1-4,9-10H2,(H,20,22).
What are the key properties of N-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide?
N-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 3623129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).