N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C18H18N2O4 — CID 74539176

IUPACN-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)c2cccc3c2OCCO3)cc1
InChIInChI=1S/C18H18N2O4/c1-12(13-6-8-14(22-2)9-7-13)19-20-18(21)15-4-3-5-16-17(15)24-11-10-23-16/h3-9H,10-11H2,1-2H3,(H,20,21)/b19-12+
InChIKeyQBIYWLOIXQIHTJ-XDHOZWIPSA-N
MW326.35 g/mol
LogP2.62
Rot. Bonds4

About N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 74539176) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID74539176
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)c2cccc3c2OCCO3)cc1
InChIInChI=1S/C18H18N2O4/c1-12(13-6-8-14(22-2)9-7-13)19-20-18(21)15-4-3-5-16-17(15)24-11-10-23-16/h3-9H,10-11H2,1-2H3,(H,20,21)/b19-12+
InChIKeyQBIYWLOIXQIHTJ-XDHOZWIPSA-N
XLogP2.62
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4200169
N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 163477302
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6255410
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 5412321
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
(7-methoxynaphthalen-2-yl) 2,3-dihydro-1,4-benzodioxine-5-carboxylate
CID 60596820
N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6131731
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 155923428

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 74539176) is N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is COc1ccc(/C(C)=N/NC(=O)c2cccc3c2OCCO3)cc1.
What is the InChIKey of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is QBIYWLOIXQIHTJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12(13-6-8-14(22-2)9-7-13)19-20-18(21)15-4-3-5-16-17(15)24-11-10-23-16/h3-9H,10-11H2,1-2H3,(H,20,21)/b19-12+.
What are the key properties of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 74539176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).