2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide

C15H26N4O4 — CID 82148746

IUPAC2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCC2(CC1)NC(=O)N(CCO)C2=O
InChIInChI=1S/C15H26N4O4/c1-11(2)9-16-12(21)10-18-5-3-15(4-6-18)13(22)19(7-8-20)14(23)17-15/h11,20H,3-10H2,1-2H3,(H,16,21)(H,17,23)
InChIKeyPAXTYEOQWNWFQA-UHFFFAOYSA-N
MW326.40 g/mol
LogP-0.86
Rot. Bonds6

About 2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide

2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide (PubChem CID 82148746) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide
PubChem CID82148746
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Name2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCC2(CC1)NC(=O)N(CCO)C2=O
InChIInChI=1S/C15H26N4O4/c1-11(2)9-16-12(21)10-18-5-3-15(4-6-18)13(22)19(7-8-20)14(23)17-15/h11,20H,3-10H2,1-2H3,(H,16,21)(H,17,23)
InChIKeyPAXTYEOQWNWFQA-UHFFFAOYSA-N
XLogP-0.86
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-methylacetamide
CID 82148824
2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide
CID 94751894
3-(2-hydroxyethyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148756
3-[8-[2-(methylamino)-2-oxoethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanoic acid
CID 94752427
4-[8-[2-(methylamino)-2-oxoethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
CID 82148992
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821686
2-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
CID 82148052
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
3-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-2-methylpropanenitrile
CID 82148265
4-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
CID 82148990
2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 113363017

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide (CID 82148746) is 2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1CCC2(CC1)NC(=O)N(CCO)C2=O.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is PAXTYEOQWNWFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-11(2)9-16-12(21)10-18-5-3-15(4-6-18)13(22)19(7-8-20)14(23)17-15/h11,20H,3-10H2,1-2H3,(H,16,21)(H,17,23).
What are the key properties of 2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide?
2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of -0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 82148746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).