(2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

C21H22N2O6 — CID 24982618

IUPAC(2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCCCc1cc(=O)oc2cc(OC(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc12
InChIInChI=1S/C21H22N2O6/c1-2-5-13-10-17(24)29-16-11-14(6-7-15(13)16)28-18(25)12-23-19(26)21(22-20(23)27)8-3-4-9-21/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,22,27)
InChIKeyFTRNTSPUZGKVTK-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.52
Rot. Bonds5

About (2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

(2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 24982618) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is (2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name(2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID24982618
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC Name(2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCCCc1cc(=O)oc2cc(OC(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc12
InChIInChI=1S/C21H22N2O6/c1-2-5-13-10-17(24)29-16-11-14(6-7-15(13)16)28-18(25)12-23-19(26)21(22-20(23)27)8-3-4-9-21/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,22,27)
InChIKeyFTRNTSPUZGKVTK-UHFFFAOYSA-N
XLogP2.52
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of (2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 24982618) is (2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for (2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for (2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is CCCc1cc(=O)oc2cc(OC(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc12.
What is the InChIKey of (2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is FTRNTSPUZGKVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-2-5-13-10-17(24)29-16-11-14(6-7-15(13)16)28-18(25)12-23-19(26)21(22-20(23)27)8-3-4-9-21/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,22,27).
What are the key properties of (2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
(2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 398.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4-propylchromen-7-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 24982618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).