2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide

C18H16N2O2 — CID 6880356

IUPAC2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2cccc3ccccc23)c(C)o1
InChIInChI=1S/C18H16N2O2/c1-12-10-17(13(2)22-12)18(21)20-19-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-11H,1-2H3,(H,20,21)/b19-11+
InChIKeyOHUJAFIHGAJYFM-YBFXNURJSA-N
MW292.34 g/mol
LogP3.81
Rot. Bonds3

About 2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide

2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide (PubChem CID 6880356) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
PubChem CID6880356
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2cccc3ccccc23)c(C)o1
InChIInChI=1S/C18H16N2O2/c1-12-10-17(13(2)22-12)18(21)20-19-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-11H,1-2H3,(H,20,21)/b19-11+
InChIKeyOHUJAFIHGAJYFM-YBFXNURJSA-N
XLogP3.81
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.81
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 2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide (CID 6880356) is 2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide is Cc1cc(C(=O)N/N=C/c2cccc3ccccc23)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide?
The InChIKey is OHUJAFIHGAJYFM-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-10-17(13(2)22-12)18(21)20-19-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-11H,1-2H3,(H,20,21)/b19-11+.
What are the key properties of 2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide?
2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide is sourced from PubChem (CID 6880356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).