4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide

C17H26N2O4 — CID 122153417

IUPAC4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide
SMILESCCCCCNC(=O)c1cc(=O)cc(C(=O)NCCCCC)o1
InChIInChI=1S/C17H26N2O4/c1-3-5-7-9-18-16(21)14-11-13(20)12-15(23-14)17(22)19-10-8-6-4-2/h11-12H,3-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyHOMMFEGZLGSLMD-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.48
Rot. Bonds10

About 4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide

4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide (PubChem CID 122153417) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide.

Molecular Properties

Compound Name4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide
PubChem CID122153417
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide
SMILESCCCCCNC(=O)c1cc(=O)cc(C(=O)NCCCCC)o1
InChIInChI=1S/C17H26N2O4/c1-3-5-7-9-18-16(21)14-11-13(20)12-15(23-14)17(22)19-10-8-6-4-2/h11-12H,3-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyHOMMFEGZLGSLMD-UHFFFAOYSA-N
XLogP2.48
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide?
The IUPAC name of 4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide (CID 122153417) is 4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide.
What is the SMILES notation for 4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide?
The canonical SMILES for 4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide is CCCCCNC(=O)c1cc(=O)cc(C(=O)NCCCCC)o1.
What is the InChIKey of 4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide?
The InChIKey is HOMMFEGZLGSLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-3-5-7-9-18-16(21)14-11-13(20)12-15(23-14)17(22)19-10-8-6-4-2/h11-12H,3-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide?
4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-N,6-N-dipentylpyran-2,6-dicarboxamide is sourced from PubChem (CID 122153417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).