2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide

C17H31N3O3 — CID 118666489

IUPAC2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide
SMILESCOCCCC1(N(C)C)CCC2(CC1)CC(=O)N(CC(N)=O)C2
InChIInChI=1S/C17H31N3O3/c1-19(2)17(5-4-10-23-3)8-6-16(7-9-17)11-15(22)20(13-16)12-14(18)21/h4-13H2,1-3H3,(H2,18,21)
InChIKeySOUYYHILXXJLBW-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.99
Rot. Bonds7

About 2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide

2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide (PubChem CID 118666489) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound Name2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide
PubChem CID118666489
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide
SMILESCOCCCC1(N(C)C)CCC2(CC1)CC(=O)N(CC(N)=O)C2
InChIInChI=1S/C17H31N3O3/c1-19(2)17(5-4-10-23-3)8-6-16(7-9-17)11-15(22)20(13-16)12-14(18)21/h4-13H2,1-3H3,(H2,18,21)
InChIKeySOUYYHILXXJLBW-UHFFFAOYSA-N
XLogP0.99
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of 2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide (CID 118666489) is 2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for 2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for 2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide is COCCCC1(N(C)C)CCC2(CC1)CC(=O)N(CC(N)=O)C2.
What is the InChIKey of 2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is SOUYYHILXXJLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-19(2)17(5-4-10-23-3)8-6-16(7-9-17)11-15(22)20(13-16)12-14(18)21/h4-13H2,1-3H3,(H2,18,21).
What are the key properties of 2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide?
2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 325.45 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(dimethylamino)-8-(3-methoxypropyl)-3-oxo-2-azaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 118666489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).