N-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide

C16H28N2O2 — CID 110197984

IUPACN-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCOC1CCC12CCN(C(=O)NC1CCCCC1)CC2
InChIInChI=1S/C16H28N2O2/c1-20-14-7-8-16(14)9-11-18(12-10-16)15(19)17-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,17,19)
InChIKeyWVKNJCBNZSLWGU-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.92
Rot. Bonds2

About N-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide

N-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 110197984) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID110197984
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCOC1CCC12CCN(C(=O)NC1CCCCC1)CC2
InChIInChI=1S/C16H28N2O2/c1-20-14-7-8-16(14)9-11-18(12-10-16)15(19)17-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,17,19)
InChIKeyWVKNJCBNZSLWGU-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide (CID 110197984) is N-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide is COC1CCC12CCN(C(=O)NC1CCCCC1)CC2.
What is the InChIKey of N-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is WVKNJCBNZSLWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-20-14-7-8-16(14)9-11-18(12-10-16)15(19)17-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,17,19).
What are the key properties of N-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide?
N-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 110197984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).