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

C24H20N2O6 — CID 3559465

IUPAC2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]butyl]chromene-3-carboxamide
SMILESO=C(NCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C24H20N2O6/c27-21(17-13-15-7-1-3-9-19(15)31-23(17)29)25-11-5-6-12-26-22(28)18-14-16-8-2-4-10-20(16)32-24(18)30/h1-4,7-10,13-14H,5-6,11-12H2,(H,25,27)(H,26,28)
InChIKeyCGFYQXPNMWDLDH-UHFFFAOYSA-N
MW432.43 g/mol
LogP2.84
Rot. Bonds7

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

2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]butyl]chromene-3-carboxamide (PubChem CID 3559465) has the molecular formula C24H20N2O6 and a molecular weight of 432.43 g/mol. Its IUPAC name is 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]butyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]butyl]chromene-3-carboxamide
PubChem CID3559465
Molecular FormulaC24H20N2O6
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Name2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]butyl]chromene-3-carboxamide
SMILESO=C(NCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C24H20N2O6/c27-21(17-13-15-7-1-3-9-19(15)31-23(17)29)25-11-5-6-12-26-22(28)18-14-16-8-2-4-10-20(16)32-24(18)30/h1-4,7-10,13-14H,5-6,11-12H2,(H,25,27)(H,26,28)
InChIKeyCGFYQXPNMWDLDH-UHFFFAOYSA-N
XLogP2.84
TPSA118.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 52.84
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-[4-[(2-oxochromene-3-carbonyl)amino]butyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]butyl]chromene-3-carboxamide (CID 3559465) is 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]butyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]butyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]butyl]chromene-3-carboxamide is O=C(NCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]butyl]chromene-3-carboxamide?
The InChIKey is CGFYQXPNMWDLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6/c27-21(17-13-15-7-1-3-9-19(15)31-23(17)29)25-11-5-6-12-26-22(28)18-14-16-8-2-4-10-20(16)32-24(18)30/h1-4,7-10,13-14H,5-6,11-12H2,(H,25,27)(H,26,28).
What are the key properties of 2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]butyl]chromene-3-carboxamide?
2-oxo-N-[4-[(2-oxochromene-3-carbonyl)amino]butyl]chromene-3-carboxamide has a molecular weight of 432.43 g/mol, XLogP of 2.84, 7 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]butyl]chromene-3-carboxamide is sourced from PubChem (CID 3559465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).