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

C18H29N3O4 — CID 55744687

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide
SMILESCCN(CC1CCOC1)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C18H29N3O4/c1-2-20(12-14-7-11-25-13-14)15(22)6-5-10-21-16(23)18(19-17(21)24)8-3-4-9-18/h14H,2-13H2,1H3,(H,19,24)
InChIKeyGLIGAXFSQCPPJD-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.52
Rot. Bonds7

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

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide (PubChem CID 55744687) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide
PubChem CID55744687
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide
SMILESCCN(CC1CCOC1)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C18H29N3O4/c1-2-20(12-14-7-11-25-13-14)15(22)6-5-10-21-16(23)18(19-17(21)24)8-3-4-9-18/h14H,2-13H2,1H3,(H,19,24)
InChIKeyGLIGAXFSQCPPJD-UHFFFAOYSA-N
XLogP1.52
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
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 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide?
The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide (CID 55744687) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide is CCN(CC1CCOC1)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide?
The InChIKey is GLIGAXFSQCPPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-2-20(12-14-7-11-25-13-14)15(22)6-5-10-21-16(23)18(19-17(21)24)8-3-4-9-18/h14H,2-13H2,1H3,(H,19,24).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide?
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide has a molecular weight of 351.45 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide is sourced from PubChem (CID 55744687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).