2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide

C17H29N3O3 — CID 84601490

IUPAC2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O
InChIInChI=1S/C17H29N3O3/c1-11(2)18-13(21)10-20-14(22)17(19-15(20)23)8-6-12(7-9-17)16(3,4)5/h11-12H,6-10H2,1-5H3,(H,18,21)(H,19,23)
InChIKeyLBFCWNHHOUGUBD-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.04
Rot. Bonds3

About 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide

2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide (PubChem CID 84601490) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
PubChem CID84601490
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O
InChIInChI=1S/C17H29N3O3/c1-11(2)18-13(21)10-20-14(22)17(19-15(20)23)8-6-12(7-9-17)16(3,4)5/h11-12H,6-10H2,1-5H3,(H,18,21)(H,19,23)
InChIKeyLBFCWNHHOUGUBD-UHFFFAOYSA-N
XLogP2.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide (CID 84601490) is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O.
What is the InChIKey of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide?
The InChIKey is LBFCWNHHOUGUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-11(2)18-13(21)10-20-14(22)17(19-15(20)23)8-6-12(7-9-17)16(3,4)5/h11-12H,6-10H2,1-5H3,(H,18,21)(H,19,23).
What are the key properties of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide?
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide has a molecular weight of 323.44 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 84601490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).