1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione

C17H24N4O4 — CID 70771236

IUPAC1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SMILESCCN1CC2(CCN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC2)CC1=O
InChIInChI=1S/C17H24N4O4/c1-3-19-11-17(8-13(19)22)4-6-20(7-5-17)14(23)10-21-9-12(2)15(24)18-16(21)25/h9H,3-8,10-11H2,1-2H3,(H,18,24,25)
InChIKeyWXFBGOXDKWOJEO-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.29
Rot. Bonds3

About 1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione

1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 70771236) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione
PubChem CID70771236
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SMILESCCN1CC2(CCN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC2)CC1=O
InChIInChI=1S/C17H24N4O4/c1-3-19-11-17(8-13(19)22)4-6-20(7-5-17)14(23)10-21-9-12(2)15(24)18-16(21)25/h9H,3-8,10-11H2,1-2H3,(H,18,24,25)
InChIKeyWXFBGOXDKWOJEO-UHFFFAOYSA-N
XLogP-0.29
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione (CID 70771236) is 1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione is CCN1CC2(CCN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC2)CC1=O.
What is the InChIKey of 1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is WXFBGOXDKWOJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-3-19-11-17(8-13(19)22)4-6-20(7-5-17)14(23)10-21-9-12(2)15(24)18-16(21)25/h9H,3-8,10-11H2,1-2H3,(H,18,24,25).
What are the key properties of 1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 348.40 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 70771236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).