3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C20H22N2O4 — CID 2622528

IUPAC3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc2c(CN3C(=O)NC4(CCCCC4)C3=O)cc(=O)oc2c1C
InChIInChI=1S/C20H22N2O4/c1-12-6-7-15-14(10-16(23)26-17(15)13(12)2)11-22-18(24)20(21-19(22)25)8-4-3-5-9-20/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,21,25)
InChIKeyVWUSZPLSEFFQSX-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.16
Rot. Bonds2

About 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2622528) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2622528
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc2c(CN3C(=O)NC4(CCCCC4)C3=O)cc(=O)oc2c1C
InChIInChI=1S/C20H22N2O4/c1-12-6-7-15-14(10-16(23)26-17(15)13(12)2)11-22-18(24)20(21-19(22)25)8-4-3-5-9-20/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,21,25)
InChIKeyVWUSZPLSEFFQSX-UHFFFAOYSA-N
XLogP3.16
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2622528) is 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccc2c(CN3C(=O)NC4(CCCCC4)C3=O)cc(=O)oc2c1C.
What is the InChIKey of 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is VWUSZPLSEFFQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12-6-7-15-14(10-16(23)26-17(15)13(12)2)11-22-18(24)20(21-19(22)25)8-4-3-5-9-20/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,21,25).
What are the key properties of 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 354.41 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2622528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).