N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide

C20H16N2O4 — CID 5336349

IUPACN-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H16N2O4/c1-12(13-6-7-18-19(10-13)26-11-25-18)21-22-20(24)16-8-14-4-2-3-5-15(14)9-17(16)23/h2-10,23H,11H2,1H3,(H,22,24)/b21-12+
InChIKeyNJYGRFRKBOTJHP-CIAFOILYSA-N
MW348.36 g/mol
LogP3.43
Rot. Bonds3

About N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 5336349) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID5336349
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC NameN-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H16N2O4/c1-12(13-6-7-18-19(10-13)26-11-25-18)21-22-20(24)16-8-14-4-2-3-5-15(14)9-17(16)23/h2-10,23H,11H2,1H3,(H,22,24)/b21-12+
InChIKeyNJYGRFRKBOTJHP-CIAFOILYSA-N
XLogP3.43
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 670460
N'-[1-(2-hydroxyphenyl)propylidene]-1,3-benzodioxole-5-carbohydrazide
CID 135817226
4-Benzo[1,3]dioxol-5-ylmethyl-2H-phthalazin-1-one
CID 15959112
Nsc-205497
CID 135491081
N'-[(2-ethoxy-1-naphthyl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 7303439
N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2,4-dimethylbenzamide
CID 9626626
3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide
CID 135401155
N'-[(1Z)-1-(Furan-2-YL)ethylidene]-3-hydroxynaphthalene-2-carbohydrazide
CID 5724588
Naphthalene-1-carboxylic acid benzo[1,3]dioxol-5-ylmethylene-hydrazide
CID 9557289
3-hydroxy-N'-[(1E)-1-(5-methylfuran-2-yl)ethylidene]naphthalene-2-carbohydrazide
CID 9567053
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6894823
3-hydroxy-N'-(2-methoxybenzoyl)-2-naphthohydrazide
CID 789909

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 5336349) is N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide is C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is NJYGRFRKBOTJHP-CIAFOILYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-12(13-6-7-18-19(10-13)26-11-25-18)21-22-20(24)16-8-14-4-2-3-5-15(14)9-17(16)23/h2-10,23H,11H2,1H3,(H,22,24)/b21-12+.
What are the key properties of N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 5336349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).