2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide

C15H23N3O4 — CID 56809775

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C15H23N3O4/c1-10(12(19)16-9-11-5-4-8-22-11)18-13(20)15(17-14(18)21)6-2-3-7-15/h10-11H,2-9H2,1H3,(H,16,19)(H,17,21)
InChIKeyMQUVZRZZLWGBGO-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.53
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 56809775) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID56809775
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C15H23N3O4/c1-10(12(19)16-9-11-5-4-8-22-11)18-13(20)15(17-14(18)21)6-2-3-7-15/h10-11H,2-9H2,1H3,(H,16,19)(H,17,21)
InChIKeyMQUVZRZZLWGBGO-UHFFFAOYSA-N
XLogP0.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 56809775) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide is CC(C(=O)NCC1CCCO1)N1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is MQUVZRZZLWGBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-10(12(19)16-9-11-5-4-8-22-11)18-13(20)15(17-14(18)21)6-2-3-7-15/h10-11H,2-9H2,1H3,(H,16,19)(H,17,21).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 56809775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).