2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide

C26H24N2O6 — CID 2054538

IUPAC2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C26H24N2O6/c29-23(19-15-17-9-3-5-11-21(17)33-25(19)31)27-13-7-1-2-8-14-28-24(30)20-16-18-10-4-6-12-22(18)34-26(20)32/h3-6,9-12,15-16H,1-2,7-8,13-14H2,(H,27,29)(H,28,30)
InChIKeyQFZMRUJJVOEYDD-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.62
Rot. Bonds9

About 2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide

2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide (PubChem CID 2054538) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide
PubChem CID2054538
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Name2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C26H24N2O6/c29-23(19-15-17-9-3-5-11-21(17)33-25(19)31)27-13-7-1-2-8-14-28-24(30)20-16-18-10-4-6-12-22(18)34-26(20)32/h3-6,9-12,15-16H,1-2,7-8,13-14H2,(H,27,29)(H,28,30)
InChIKeyQFZMRUJJVOEYDD-UHFFFAOYSA-N
XLogP3.62
TPSA118.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide (CID 2054538) is 2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide is O=C(NCCCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide?
The InChIKey is QFZMRUJJVOEYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6/c29-23(19-15-17-9-3-5-11-21(17)33-25(19)31)27-13-7-1-2-8-14-28-24(30)20-16-18-10-4-6-12-22(18)34-26(20)32/h3-6,9-12,15-16H,1-2,7-8,13-14H2,(H,27,29)(H,28,30).
What are the key properties of 2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide?
2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[6-[(2-oxochromene-3-carbonyl)amino]hexyl]chromene-3-carboxamide is sourced from PubChem (CID 2054538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).