5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione

C18H28N4O5 — CID 70748060

IUPAC5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCC(C)CCN1CC2(CCN(C(=O)CCC3NC(=O)NC3=O)CC2)OC1=O
InChIInChI=1S/C18H28N4O5/c1-12(2)5-8-22-11-18(27-17(22)26)6-9-21(10-7-18)14(23)4-3-13-15(24)20-16(25)19-13/h12-13H,3-11H2,1-2H3,(H2,19,20,24,25)
InChIKeyUXFOBZWXUBXSSF-UHFFFAOYSA-N
MW380.45 g/mol
LogP0.83
Rot. Bonds6

About 5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 70748060) has the molecular formula C18H28N4O5 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID70748060
Molecular FormulaC18H28N4O5
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC Name5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCC(C)CCN1CC2(CCN(C(=O)CCC3NC(=O)NC3=O)CC2)OC1=O
InChIInChI=1S/C18H28N4O5/c1-12(2)5-8-22-11-18(27-17(22)26)6-9-21(10-7-18)14(23)4-3-13-15(24)20-16(25)19-13/h12-13H,3-11H2,1-2H3,(H2,19,20,24,25)
InChIKeyUXFOBZWXUBXSSF-UHFFFAOYSA-N
XLogP0.83
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 70748060) is 5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione is CC(C)CCN1CC2(CCN(C(=O)CCC3NC(=O)NC3=O)CC2)OC1=O.
What is the InChIKey of 5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is UXFOBZWXUBXSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5/c1-12(2)5-8-22-11-18(27-17(22)26)6-9-21(10-7-18)14(23)4-3-13-15(24)20-16(25)19-13/h12-13H,3-11H2,1-2H3,(H2,19,20,24,25).
What are the key properties of 5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 380.45 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70748060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).