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

C16H25N3O4 — CID 47008429

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCC1CCCO1
InChIInChI=1S/C16H25N3O4/c20-13(17-11-12-5-4-10-23-12)6-3-9-19-14(21)16(18-15(19)22)7-1-2-8-16/h12H,1-11H2,(H,17,20)(H,18,22)
InChIKeyPQJPNKZNBAUTOA-UHFFFAOYSA-N
MW323.39 g/mol
LogP0.93
Rot. Bonds6

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

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 47008429) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)butanamide
PubChem CID47008429
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCC1CCCO1
InChIInChI=1S/C16H25N3O4/c20-13(17-11-12-5-4-10-23-12)6-3-9-19-14(21)16(18-15(19)22)7-1-2-8-16/h12H,1-11H2,(H,17,20)(H,18,22)
InChIKeyPQJPNKZNBAUTOA-UHFFFAOYSA-N
XLogP0.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.93
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 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)butanamide (CID 47008429) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)butanamide is O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCC1CCCO1.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is PQJPNKZNBAUTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c20-13(17-11-12-5-4-10-23-12)6-3-9-19-14(21)16(18-15(19)22)7-1-2-8-16/h12H,1-11H2,(H,17,20)(H,18,22).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)butanamide?
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 323.39 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 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-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 47008429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).