N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide

C15H22N2O2 — CID 7929165

IUPACN-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NN=C2CCCCCCC2)c(C)o1
InChIInChI=1S/C15H22N2O2/c1-11-10-14(12(2)19-11)15(18)17-16-13-8-6-4-3-5-7-9-13/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyZUKNXSXORYZJBX-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.73
Rot. Bonds2

About N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide

N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide (PubChem CID 7929165) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide
PubChem CID7929165
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NN=C2CCCCCCC2)c(C)o1
InChIInChI=1S/C15H22N2O2/c1-11-10-14(12(2)19-11)15(18)17-16-13-8-6-4-3-5-7-9-13/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyZUKNXSXORYZJBX-UHFFFAOYSA-N
XLogP3.73
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide (CID 7929165) is N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NN=C2CCCCCCC2)c(C)o1.
What is the InChIKey of N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is ZUKNXSXORYZJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-10-14(12(2)19-11)15(18)17-16-13-8-6-4-3-5-7-9-13/h10H,3-9H2,1-2H3,(H,17,18).
What are the key properties of N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide?
N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 7929165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).