2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide

C18H30N2O2 — CID 71836678

IUPAC2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)CC2CCCCC2)CC12CCCC2
InChIInChI=1S/C18H30N2O2/c1-19-17(22)15-12-20(13-18(15)9-5-6-10-18)16(21)11-14-7-3-2-4-8-14/h14-15H,2-13H2,1H3,(H,19,22)
InChIKeyQSSGQFQWTZOYEK-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.72
Rot. Bonds3

About 2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide

2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide (PubChem CID 71836678) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide
PubChem CID71836678
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)CC2CCCCC2)CC12CCCC2
InChIInChI=1S/C18H30N2O2/c1-19-17(22)15-12-20(13-18(15)9-5-6-10-18)16(21)11-14-7-3-2-4-8-14/h14-15H,2-13H2,1H3,(H,19,22)
InChIKeyQSSGQFQWTZOYEK-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of 2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide (CID 71836678) is 2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for 2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for 2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide is CNC(=O)C1CN(C(=O)CC2CCCCC2)CC12CCCC2.
What is the InChIKey of 2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide?
The InChIKey is QSSGQFQWTZOYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-19-17(22)15-12-20(13-18(15)9-5-6-10-18)16(21)11-14-7-3-2-4-8-14/h14-15H,2-13H2,1H3,(H,19,22).
What are the key properties of 2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide?
2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylacetyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 71836678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).