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

C19H28N4O4 — CID 72853815

IUPAC1-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCCCN1CC2(CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C19H28N4O4/c1-2-3-9-22-13-19(8-5-16(22)25)7-4-10-23(14-19)17(26)12-21-11-6-15(24)20-18(21)27/h6,11H,2-5,7-10,12-14H2,1H3,(H,20,24,27)
InChIKeyAYNNEELLQOSDBU-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.57
Rot. Bonds5

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

1-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 72853815) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID72853815
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name1-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCCCN1CC2(CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C19H28N4O4/c1-2-3-9-22-13-19(8-5-16(22)25)7-4-10-23(14-19)17(26)12-21-11-6-15(24)20-18(21)27/h6,11H,2-5,7-10,12-14H2,1H3,(H,20,24,27)
InChIKeyAYNNEELLQOSDBU-UHFFFAOYSA-N
XLogP0.57
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione (CID 72853815) is 1-[2-(2-butyl-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-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione is CCCCN1CC2(CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)CCC1=O.
What is the InChIKey of 1-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is AYNNEELLQOSDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-2-3-9-22-13-19(8-5-16(22)25)7-4-10-23(14-19)17(26)12-21-11-6-15(24)20-18(21)27/h6,11H,2-5,7-10,12-14H2,1H3,(H,20,24,27).
What are the key properties of 1-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 376.46 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 72853815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).