N-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide

C20H18N2O2 — CID 135616066

IUPACN-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
SMILESCC/C(=N\NC(=O)c1cccc2ccccc12)c1ccccc1O
InChIInChI=1S/C20H18N2O2/c1-2-18(17-11-5-6-13-19(17)23)21-22-20(24)16-12-7-9-14-8-3-4-10-15(14)16/h3-13,23H,2H2,1H3,(H,22,24)/b21-18+
InChIKeyLUMBHNDDMNISPF-DYTRJAOYSA-N
MW318.38 g/mol
LogP4.09
Rot. Bonds4

About N-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide

N-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide (PubChem CID 135616066) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
PubChem CID135616066
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
SMILESCC/C(=N\NC(=O)c1cccc2ccccc12)c1ccccc1O
InChIInChI=1S/C20H18N2O2/c1-2-18(17-11-5-6-13-19(17)23)21-22-20(24)16-12-7-9-14-8-3-4-10-15(14)16/h3-13,23H,2H2,1H3,(H,22,24)/b21-18+
InChIKeyLUMBHNDDMNISPF-DYTRJAOYSA-N
XLogP4.09
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

4-(4-hydroxy-3,5-dimethylphenyl)-2-methylphthalazin-1(2H)-one
CID 624420
N'-cyclohexylidene-3-hydroxynaphthalene-2-carbohydrazide
CID 795531
N'-(2-hydroxybenzoyl)naphthalene-1-carbohydrazide
CID 22613412
2-Hydroxy-1-naphthalaldehyde salicyloylhydrazone
CID 135458654
4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
N'-(1,3-dimethylbutylidene)-3-hydroxy-2-naphthohydrazide
CID 5779530
N'-cycloheptylidene-3-hydroxynaphthalene-2-carbohydrazide
CID 3623129
N'-[(1Z)-1-(3-hydroxyphenyl)ethylidene]biphenyl-4-carbohydrazide
CID 6081739
N'-bicyclo[2.2.1]hept-2-ylidene-3-hydroxy-2-naphthohydrazide
CID 9670172
N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide
CID 9684188
4-hydroxy-N'-[(2-hydroxy-1-naphthyl)methylene]benzohydrazide
CID 135400287
Naphthalene-1-carboxylic acid (2-hydroxy-benzylidene)-hydrazide
CID 135400487

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide (CID 135616066) is N-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide is CC/C(=N\NC(=O)c1cccc2ccccc12)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide?
The InChIKey is LUMBHNDDMNISPF-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-2-18(17-11-5-6-13-19(17)23)21-22-20(24)16-12-7-9-14-8-3-4-10-15(14)16/h3-13,23H,2H2,1H3,(H,22,24)/b21-18+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide?
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 135616066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).