5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide

C22H20N2O4 — CID 6874799

IUPAC5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C22H20N2O4/c25-18-6-1-3-15(11-18)13-23-24-22(26)21-10-9-20(28-21)14-27-19-8-7-16-4-2-5-17(16)12-19/h1,3,6-13,25H,2,4-5,14H2,(H,24,26)/b23-13+
InChIKeyYMXPRQQHKZCVOY-YDZHTSKRSA-N
MW376.41 g/mol
LogP3.82
Rot. Bonds6

About 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 6874799) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID6874799
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C22H20N2O4/c25-18-6-1-3-15(11-18)13-23-24-22(26)21-10-9-20(28-21)14-27-19-8-7-16-4-2-5-17(16)12-19/h1,3,6-13,25H,2,4-5,14H2,(H,24,26)/b23-13+
InChIKeyYMXPRQQHKZCVOY-YDZHTSKRSA-N
XLogP3.82
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
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

5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furohydrazide
CID 717040
N'-{(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}furan-2-carbohydrazide
CID 9559755
5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N'-(2-naphthylmethylene)-2-furohydrazide
CID 6874804
N'-(5-bromo-2-methoxybenzylidene)-5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furohydrazide
CID 9617652
5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N'-{2-hydroxy-5-nitrobenzylidene}-2-furohydrazide
CID 135688419
N'-(3-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 9558067
N'-(3-ethoxy-4-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 135494675
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 136765273
N'-(3-hydroxy-4-methoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 5431047
5-[(3,4-dimethylphenoxy)methyl]-N'-(2-methoxybenzylidene)-2-furohydrazide
CID 5430522
N'-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylidene]-1-benzofuran-2-carbohydrazide
CID 6880664
N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96895342

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide (CID 6874799) is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1cccc(O)c1)c1ccc(COc2ccc3c(c2)CCC3)o1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is YMXPRQQHKZCVOY-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-18-6-1-3-15(11-18)13-23-24-22(26)21-10-9-20(28-21)14-27-19-8-7-16-4-2-5-17(16)12-19/h1,3,6-13,25H,2,4-5,14H2,(H,24,26)/b23-13+.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6874799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).