3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H29N5O4 — CID 166614587

IUPAC3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCCN1C(=O)N(CC(C)C)C2(CCN(c3noc(C)n3)CC2)C1=O
InChIInChI=1S/C18H29N5O4/c1-13(2)12-23-17(25)22(8-5-11-26-4)15(24)18(23)6-9-21(10-7-18)16-19-14(3)27-20-16/h13H,5-12H2,1-4H3
InChIKeyLAZJXWFVYAPTRH-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.67
Rot. Bonds7

About 3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166614587) has the molecular formula C18H29N5O4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166614587
Molecular FormulaC18H29N5O4
Molecular Weight379.46 g/mol
Exact Mass379.22
IUPAC Name3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCCN1C(=O)N(CC(C)C)C2(CCN(c3noc(C)n3)CC2)C1=O
InChIInChI=1S/C18H29N5O4/c1-13(2)12-23-17(25)22(8-5-11-26-4)15(24)18(23)6-9-21(10-7-18)16-19-14(3)27-20-16/h13H,5-12H2,1-4H3
InChIKeyLAZJXWFVYAPTRH-UHFFFAOYSA-N
XLogP1.67
TPSA92.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

8-(1,3-benzoxazol-2-yl)-3-(3-methoxypropyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166617238
3-(3-hydroxypropyl)-8-(5-methyl-1,2-oxazole-3-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166613177
1-benzyl-3-(3-methoxypropyl)-8-(1,3-oxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166613033
3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26135405
8-(4-aminopyrimidin-2-yl)-3-(cyclopropylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166615837
3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616059
8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166615547
1-(2-methoxyethyl)-8-(2-methylpropyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26141284
1,3-bis(3-methoxypropyl)-5,5-dimethylimidazolidine-2,4-dione
CID 118434094
3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45162126
8-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136405
3-(2-hydroxyethyl)-1-(2-methylpropyl)-8-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166614281

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166614587) is 3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCCN1C(=O)N(CC(C)C)C2(CCN(c3noc(C)n3)CC2)C1=O.
What is the InChIKey of 3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LAZJXWFVYAPTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O4/c1-13(2)12-23-17(25)22(8-5-11-26-4)15(24)18(23)6-9-21(10-7-18)16-19-14(3)27-20-16/h13H,5-12H2,1-4H3.
What are the key properties of 3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 379.46 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166614587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).