2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide

C26H22N2O6 — CID 4690670

IUPAC2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2cc3ccccc3oc2=O)CC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C26H22N2O6/c29-23(19-13-15-5-1-3-7-21(15)33-25(19)31)27-17-9-11-18(12-10-17)28-24(30)20-14-16-6-2-4-8-22(16)34-26(20)32/h1-8,13-14,17-18H,9-12H2,(H,27,29)(H,28,30)
InChIKeyGBJIOICCZJOGRY-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.37
Rot. Bonds4

About 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide

2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide (PubChem CID 4690670) has the molecular formula C26H22N2O6 and a molecular weight of 458.47 g/mol. Its IUPAC name is 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide
PubChem CID4690670
Molecular FormulaC26H22N2O6
Molecular Weight458.47 g/mol
Exact Mass458.15
IUPAC Name2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2cc3ccccc3oc2=O)CC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C26H22N2O6/c29-23(19-13-15-5-1-3-7-21(15)33-25(19)31)27-17-9-11-18(12-10-17)28-24(30)20-14-16-6-2-4-8-22(16)34-26(20)32/h1-8,13-14,17-18H,9-12H2,(H,27,29)(H,28,30)
InChIKeyGBJIOICCZJOGRY-UHFFFAOYSA-N
XLogP3.37
TPSA118.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide (CID 4690670) is 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide is O=C(NC1CCC(NC(=O)c2cc3ccccc3oc2=O)CC1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide?
The InChIKey is GBJIOICCZJOGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O6/c29-23(19-13-15-5-1-3-7-21(15)33-25(19)31)27-17-9-11-18(12-10-17)28-24(30)20-14-16-6-2-4-8-22(16)34-26(20)32/h1-8,13-14,17-18H,9-12H2,(H,27,29)(H,28,30).
What are the key properties of 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide?
2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide has a molecular weight of 458.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]chromene-3-carboxamide is sourced from PubChem (CID 4690670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).