1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione

C20H30N4O4 — CID 72903246

IUPAC1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCC(C)CCN1CC2(CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C20H30N4O4/c1-15(2)5-10-24-14-20(8-4-17(24)26)7-3-9-23(13-20)18(27)12-22-11-6-16(25)21-19(22)28/h6,11,15H,3-5,7-10,12-14H2,1-2H3,(H,21,25,28)
InChIKeyBWLXQLGEYQIRJE-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.81
Rot. Bonds5

About 1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 72903246) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID72903246
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCC(C)CCN1CC2(CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C20H30N4O4/c1-15(2)5-10-24-14-20(8-4-17(24)26)7-3-9-23(13-20)18(27)12-22-11-6-16(25)21-19(22)28/h6,11,15H,3-5,7-10,12-14H2,1-2H3,(H,21,25,28)
InChIKeyBWLXQLGEYQIRJE-UHFFFAOYSA-N
XLogP0.81
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 72903246) is 1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione is CC(C)CCN1CC2(CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)CCC1=O.
What is the InChIKey of 1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is BWLXQLGEYQIRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-15(2)5-10-24-14-20(8-4-17(24)26)7-3-9-23(13-20)18(27)12-22-11-6-16(25)21-19(22)28/h6,11,15H,3-5,7-10,12-14H2,1-2H3,(H,21,25,28).
What are the key properties of 1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 390.48 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 72903246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).