N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide

C22H18N2O5 — CID 135571931

IUPACN-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(OC)c1O
InChIInChI=1S/C22H18N2O5/c1-27-18-9-13(10-19(28-2)21(18)25)12-23-24-22(26)20-11-16-15-6-4-3-5-14(15)7-8-17(16)29-20/h3-12,25H,1-2H3,(H,24,26)/b23-12+
InChIKeyICEFORRNJVZCHJ-FSJBWODESA-N
MW390.40 g/mol
LogP4.07
Rot. Bonds5

About N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide

N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 135571931) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
PubChem CID135571931
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC NameN-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(OC)c1O
InChIInChI=1S/C22H18N2O5/c1-27-18-9-13(10-19(28-2)21(18)25)12-23-24-22(26)20-11-16-15-6-4-3-5-14(15)7-8-17(16)29-20/h3-12,25H,1-2H3,(H,24,26)/b23-12+
InChIKeyICEFORRNJVZCHJ-FSJBWODESA-N
XLogP4.07
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide (CID 135571931) is N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(OC)c1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is ICEFORRNJVZCHJ-FSJBWODESA-N. The full InChI is InChI=1S/C22H18N2O5/c1-27-18-9-13(10-19(28-2)21(18)25)12-23-24-22(26)20-11-16-15-6-4-3-5-14(15)7-8-17(16)29-20/h3-12,25H,1-2H3,(H,24,26)/b23-12+.
What are the key properties of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 135571931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).