N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C17H16N2O3 — CID 5419353

IUPACN-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESC/C(=N/NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C17H16N2O3/c1-12(13-5-3-2-4-6-13)18-19-17(20)14-7-8-15-16(11-14)22-10-9-21-15/h2-8,11H,9-10H2,1H3,(H,19,20)/b18-12-
InChIKeyZTIMNRSFSOJZEQ-PDGQHHTCSA-N
MW296.33 g/mol
LogP2.61
Rot. Bonds3

About N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 5419353) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID5419353
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESC/C(=N/NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C17H16N2O3/c1-12(13-5-3-2-4-6-13)18-19-17(20)14-7-8-15-16(11-14)22-10-9-21-15/h2-8,11H,9-10H2,1H3,(H,19,20)/b18-12-
InChIKeyZTIMNRSFSOJZEQ-PDGQHHTCSA-N
XLogP2.61
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.61
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)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide
CID 5416358
N-[1-(3-hydroxyphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 4103586
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126122923
N-[(Z)-1-pyridin-4-ylethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5408947
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6255410
N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6265523
(2R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-phenylsulfanylpropanamide
CID 6967321
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126119860
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide
CID 6261518
N-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9233838
(1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7241725
N-[2-oxo-2-[2-[1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 4556639

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 5419353) is N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C/C(=N/NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is ZTIMNRSFSOJZEQ-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12(13-5-3-2-4-6-13)18-19-17(20)14-7-8-15-16(11-14)22-10-9-21-15/h2-8,11H,9-10H2,1H3,(H,19,20)/b18-12-.
What are the key properties of N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 5419353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).