N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide

C19H14N2O4 — CID 670460

IUPACN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H14N2O4/c22-16-7-5-12-3-1-2-4-14(12)15(16)10-20-21-19(23)13-6-8-17-18(9-13)25-11-24-17/h1-10,22H,11H2,(H,21,23)
InChIKeyXSVSVUSAFSGISL-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.04
Rot. Bonds3

About N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide (PubChem CID 670460) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
PubChem CID670460
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H14N2O4/c22-16-7-5-12-3-1-2-4-14(12)15(16)10-20-21-19(23)13-6-8-17-18(9-13)25-11-24-17/h1-10,22H,11H2,(H,21,23)
InChIKeyXSVSVUSAFSGISL-UHFFFAOYSA-N
XLogP3.04
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-benzylidene-1,3-benzodioxole-5-carbohydrazide
CID 6872189
(E)-3,4-Dihydroxy-N'-((2-methoxynaphthalen-1-YL)methylene)benzohydrazide
CID 9562794
N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5503194
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135576617
2-[(E)-{2-[(3,4-dimethoxyphenyl)carbonyl]hydrazinylidene}methyl]benzoic acid
CID 6906996
N'-[1-(1,3-benzodioxol-5-yl)ethylidene]-3-hydroxy-2-naphthohydrazide
CID 5336349
N'-(4-(benzyloxy)-3-methoxybenzylidene)benzo[d][1,3]dioxole-5-carbohydrazide
CID 9618971
N'-(2,3-dimethoxybenzylidene)-1-naphthohydrazide
CID 6874153
Benzo[1,3]dioxole-5-carboxylic acid (2-methoxy-benzylidene)-hydrazide
CID 6894117
N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]-1,3-benzodioxole-5-carbohydrazide
CID 135580308
N'-[(1E)-(2-hydroxyphenyl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 135628803
N'-[1-(2-hydroxyphenyl)propylidene]-1,3-benzodioxole-5-carbohydrazide
CID 135817226

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide (CID 670460) is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide is O=C(NN=Cc1c(O)ccc2ccccc12)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide?
The InChIKey is XSVSVUSAFSGISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-16-7-5-12-3-1-2-4-14(12)15(16)10-20-21-19(23)13-6-8-17-18(9-13)25-11-24-17/h1-10,22H,11H2,(H,21,23).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide?
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 670460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).