N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C20H16N2O3 — CID 5056514

IUPACN-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NN=Cc1cccc2ccccc12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H16N2O3/c23-20(15-8-9-18-19(12-15)25-11-10-24-18)22-21-13-16-6-3-5-14-4-1-2-7-17(14)16/h1-9,12-13H,10-11H2,(H,22,23)
InChIKeyXXMYZQJLRNURMF-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.37
Rot. Bonds3

About N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 5056514) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID5056514
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC NameN-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NN=Cc1cccc2ccccc12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H16N2O3/c23-20(15-8-9-18-19(12-15)25-11-10-24-18)22-21-13-16-6-3-5-14-4-1-2-7-17(14)16/h1-9,12-13H,10-11H2,(H,22,23)
InChIKeyXXMYZQJLRNURMF-UHFFFAOYSA-N
XLogP3.37
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135550898
N-[(E)-(3-chloro-2-methoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 59187392
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135897013
3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 59091698
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
CID 6909474
N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide
CID 71467467
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 2592818
N-[(E)-(4-chlorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 171978503
N-(benzylideneamino)-1,3-benzodioxole-5-carboxamide
CID 834948
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5416925

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 5056514) is N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(NN=Cc1cccc2ccccc12)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is XXMYZQJLRNURMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-20(15-8-9-18-19(12-15)25-11-10-24-18)22-21-13-16-6-3-5-14-4-1-2-7-17(14)16/h1-9,12-13H,10-11H2,(H,22,23).
What are the key properties of N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 5056514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).