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

C14H23N3O4 — CID 91919247

IUPACN-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C14H23N3O4/c1-3-4-7-16(2)11(18)10-17-12(19)14(15-13(17)20)5-8-21-9-6-14/h3-10H2,1-2H3,(H,15,20)
InChIKeyGEIIHIDSSVYTLO-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.35
Rot. Bonds5

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

N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide (PubChem CID 91919247) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
PubChem CID91919247
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC NameN-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C14H23N3O4/c1-3-4-7-16(2)11(18)10-17-12(19)14(15-13(17)20)5-8-21-9-6-14/h3-10H2,1-2H3,(H,15,20)
InChIKeyGEIIHIDSSVYTLO-UHFFFAOYSA-N
XLogP0.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.35
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 N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide?
The IUPAC name of N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide (CID 91919247) is N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide is CCCCN(C)C(=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)-N-methylacetamide?
The InChIKey is GEIIHIDSSVYTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-4-7-16(2)11(18)10-17-12(19)14(15-13(17)20)5-8-21-9-6-14/h3-10H2,1-2H3,(H,15,20).
What are the key properties of N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide?
N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide has a molecular weight of 297.35 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 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)-N-methylacetamide is sourced from PubChem (CID 91919247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).