2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H28N2O5 — CID 72904297

IUPAC2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCCN1CC2(CCC1=O)CCN(C(=O)c1cc(=O)cc(C)o1)CC2
InChIInChI=1S/C20H28N2O5/c1-15-12-16(23)13-17(27-15)19(25)21-9-6-20(7-10-21)5-4-18(24)22(14-20)8-3-11-26-2/h12-13H,3-11,14H2,1-2H3
InChIKeyDCCWBMIGSQJILY-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.83
Rot. Bonds5

About 2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72904297) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72904297
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCCN1CC2(CCC1=O)CCN(C(=O)c1cc(=O)cc(C)o1)CC2
InChIInChI=1S/C20H28N2O5/c1-15-12-16(23)13-17(27-15)19(25)21-9-6-20(7-10-21)5-4-18(24)22(14-20)8-3-11-26-2/h12-13H,3-11,14H2,1-2H3
InChIKeyDCCWBMIGSQJILY-UHFFFAOYSA-N
XLogP1.83
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72904297) is 2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCCN1CC2(CCC1=O)CCN(C(=O)c1cc(=O)cc(C)o1)CC2.
What is the InChIKey of 2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DCCWBMIGSQJILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-15-12-16(23)13-17(27-15)19(25)21-9-6-20(7-10-21)5-4-18(24)22(14-20)8-3-11-26-2/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 376.45 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72904297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).