N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide

C20H18N2O5 — CID 9464476

IUPACN-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2oc3ccccc3c2C)cc2c1OCCO2
InChIInChI=1S/C20H18N2O5/c1-12-14-5-3-4-6-15(14)27-18(12)20(23)22-21-11-13-9-16(24-2)19-17(10-13)25-7-8-26-19/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)/b21-11-
InChIKeyGLGAZKHEUJLVAI-NHDPSOOVSA-N
MW366.37 g/mol
LogP3.28
Rot. Bonds4

About N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide

N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9464476) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9464476
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2oc3ccccc3c2C)cc2c1OCCO2
InChIInChI=1S/C20H18N2O5/c1-12-14-5-3-4-6-15(14)27-18(12)20(23)22-21-11-13-9-16(24-2)19-17(10-13)25-7-8-26-19/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)/b21-11-
InChIKeyGLGAZKHEUJLVAI-NHDPSOOVSA-N
XLogP3.28
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

4-hydroxy-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzamide
CID 9072934
3,4-dimethoxy-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzamide
CID 9232627
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464574
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464323
N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464455
2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide
CID 9237986
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464746
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464567
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
CID 175009758
4-hydroxy-N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 9072987
3,4-dimethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 6733172
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96883350

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide (CID 9464476) is N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide is COc1cc(/C=N\NC(=O)c2oc3ccccc3c2C)cc2c1OCCO2.
What is the InChIKey of N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GLGAZKHEUJLVAI-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12-14-5-3-4-6-15(14)27-18(12)20(23)22-21-11-13-9-16(24-2)19-17(10-13)25-7-8-26-19/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)/b21-11-.
What are the key properties of N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9464476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).