N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C13H21N3O4 — CID 91891671

IUPACN-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C13H21N3O4/c1-2-3-6-14-10(17)9-16-11(18)13(15-12(16)19)4-7-20-8-5-13/h2-9H2,1H3,(H,14,17)(H,15,19)
InChIKeyKYBXFXCUUMYBQT-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.00
Rot. Bonds5

About N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 91891671) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID91891671
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC NameN-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C13H21N3O4/c1-2-3-6-14-10(17)9-16-11(18)13(15-12(16)19)4-7-20-8-5-13/h2-9H2,1H3,(H,14,17)(H,15,19)
InChIKeyKYBXFXCUUMYBQT-UHFFFAOYSA-N
XLogP0.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 91891671) is N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCCCNC(=O)CN1C(=O)NC2(CCOCC2)C1=O.
What is the InChIKey of N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is KYBXFXCUUMYBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-2-3-6-14-10(17)9-16-11(18)13(15-12(16)19)4-7-20-8-5-13/h2-9H2,1H3,(H,14,17)(H,15,19).
What are the key properties of N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 283.33 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 91891671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).