8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide

C24H21N3O5 — CID 90515534

IUPAC8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NCCn3cnc(-c4ccccc4)cc3=O)c(=O)oc12
InChIInChI=1S/C24H21N3O5/c1-2-31-20-10-6-9-17-13-18(24(30)32-22(17)20)23(29)25-11-12-27-15-26-19(14-21(27)28)16-7-4-3-5-8-16/h3-10,13-15H,2,11-12H2,1H3,(H,25,29)
InChIKeyKAAVFYGJLPQHLH-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.85
Rot. Bonds7

About 8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide

8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide (PubChem CID 90515534) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide
PubChem CID90515534
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NCCn3cnc(-c4ccccc4)cc3=O)c(=O)oc12
InChIInChI=1S/C24H21N3O5/c1-2-31-20-10-6-9-17-13-18(24(30)32-22(17)20)23(29)25-11-12-27-15-26-19(14-21(27)28)16-7-4-3-5-8-16/h3-10,13-15H,2,11-12H2,1H3,(H,25,29)
InChIKeyKAAVFYGJLPQHLH-UHFFFAOYSA-N
XLogP2.85
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide?
The IUPAC name of 8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide (CID 90515534) is 8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide is CCOc1cccc2cc(C(=O)NCCn3cnc(-c4ccccc4)cc3=O)c(=O)oc12.
What is the InChIKey of 8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide?
The InChIKey is KAAVFYGJLPQHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-2-31-20-10-6-9-17-13-18(24(30)32-22(17)20)23(29)25-11-12-27-15-26-19(14-21(27)28)16-7-4-3-5-8-16/h3-10,13-15H,2,11-12H2,1H3,(H,25,29).
What are the key properties of 8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide?
8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide is sourced from PubChem (CID 90515534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).