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

C22H16N2O6 — CID 599283

IUPAC2-oxo-N-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]chromene-3-carboxamide
SMILESO=C(NCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H16N2O6/c25-19(15-11-13-5-1-3-7-17(13)29-21(15)27)23-9-10-24-20(26)16-12-14-6-2-4-8-18(14)30-22(16)28/h1-8,11-12H,9-10H2,(H,23,25)(H,24,26)
InChIKeyUEHSTGDQZXUEEQ-UHFFFAOYSA-N
MW404.38 g/mol
LogP2.06
Rot. Bonds5

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

2-oxo-N-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]chromene-3-carboxamide (PubChem CID 599283) has the molecular formula C22H16N2O6 and a molecular weight of 404.38 g/mol. Its IUPAC name is 2-oxo-N-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]chromene-3-carboxamide
PubChem CID599283
Molecular FormulaC22H16N2O6
Molecular Weight404.38 g/mol
Exact Mass404.10
IUPAC Name2-oxo-N-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]chromene-3-carboxamide
SMILESO=C(NCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H16N2O6/c25-19(15-11-13-5-1-3-7-17(13)29-21(15)27)23-9-10-24-20(26)16-12-14-6-2-4-8-18(14)30-22(16)28/h1-8,11-12H,9-10H2,(H,23,25)(H,24,26)
InChIKeyUEHSTGDQZXUEEQ-UHFFFAOYSA-N
XLogP2.06
TPSA118.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 52.06
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-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]chromene-3-carboxamide (CID 599283) is 2-oxo-N-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]chromene-3-carboxamide is O=C(NCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]chromene-3-carboxamide?
The InChIKey is UEHSTGDQZXUEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O6/c25-19(15-11-13-5-1-3-7-17(13)29-21(15)27)23-9-10-24-20(26)16-12-14-6-2-4-8-18(14)30-22(16)28/h1-8,11-12H,9-10H2,(H,23,25)(H,24,26).
What are the key properties of 2-oxo-N-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]chromene-3-carboxamide?
2-oxo-N-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]chromene-3-carboxamide has a molecular weight of 404.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]chromene-3-carboxamide is sourced from PubChem (CID 599283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).