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

C26H22N2O3 — CID 6874804

IUPAC5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-naphthalen-2-ylmethylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc2ccccc2c1)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C26H22N2O3/c29-26(28-27-16-18-8-9-19-4-1-2-5-21(19)14-18)25-13-12-24(31-25)17-30-23-11-10-20-6-3-7-22(20)15-23/h1-2,4-5,8-16H,3,6-7,17H2,(H,28,29)/b27-16+
InChIKeySVXPZUCBUPMPKL-JVWAILMASA-N
MW410.47 g/mol
LogP5.26
Rot. Bonds6

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

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-naphthalen-2-ylmethylideneamino]furan-2-carboxamide (PubChem CID 6874804) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-naphthalen-2-ylmethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-naphthalen-2-ylmethylideneamino]furan-2-carboxamide
PubChem CID6874804
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-naphthalen-2-ylmethylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc2ccccc2c1)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C26H22N2O3/c29-26(28-27-16-18-8-9-19-4-1-2-5-21(19)14-18)25-13-12-24(31-25)17-30-23-11-10-20-6-3-7-22(20)15-23/h1-2,4-5,8-16H,3,6-7,17H2,(H,28,29)/b27-16+
InChIKeySVXPZUCBUPMPKL-JVWAILMASA-N
XLogP5.26
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.26
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

5-[(2-Naphthyloxy)methyl]-2-furohydrazide
CID 726927
N'-(1-naphthylmethylene)-1-benzofuran-2-carbohydrazide
CID 6873935
N'-(2,4-dimethoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876216
N'-(2-fluorobenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876336
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6874799
N'-(5-bromo-2-methoxybenzylidene)-5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furohydrazide
CID 9617652
N'-(3,4-dimethoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876214
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
(E)-N'-(4-Hydroxy-3,5-dimethoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 135571931
N'-(3-phenyl-2-propenylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876234
N'-(3-hydroxy-4-methoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 5431047

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-naphthalen-2-ylmethylideneamino]furan-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-naphthalen-2-ylmethylideneamino]furan-2-carboxamide (CID 6874804) is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-naphthalen-2-ylmethylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-naphthalen-2-ylmethylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-naphthalen-2-ylmethylideneamino]furan-2-carboxamide is O=C(N/N=C/c1ccc2ccccc2c1)c1ccc(COc2ccc3c(c2)CCC3)o1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-naphthalen-2-ylmethylideneamino]furan-2-carboxamide?
The InChIKey is SVXPZUCBUPMPKL-JVWAILMASA-N. The full InChI is InChI=1S/C26H22N2O3/c29-26(28-27-16-18-8-9-19-4-1-2-5-21(19)14-18)25-13-12-24(31-25)17-30-23-11-10-20-6-3-7-22(20)15-23/h1-2,4-5,8-16H,3,6-7,17H2,(H,28,29)/b27-16+.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-naphthalen-2-ylmethylideneamino]furan-2-carboxamide?
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-naphthalen-2-ylmethylideneamino]furan-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-naphthalen-2-ylmethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6874804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).