2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C18H30N2O3 — CID 91924889

IUPAC2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)C2CCCCC2)CC12CCOCC2
InChIInChI=1S/C18H30N2O3/c1-19(2)17(22)15-12-20(13-18(15)8-10-23-11-9-18)16(21)14-6-4-3-5-7-14/h14-15H,3-13H2,1-2H3
InChIKeyROLXQRKUNVSKIT-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.91
Rot. Bonds2

About 2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924889) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91924889
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)C2CCCCC2)CC12CCOCC2
InChIInChI=1S/C18H30N2O3/c1-19(2)17(22)15-12-20(13-18(15)8-10-23-11-9-18)16(21)14-6-4-3-5-7-14/h14-15H,3-13H2,1-2H3
InChIKeyROLXQRKUNVSKIT-UHFFFAOYSA-N
XLogP1.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924889) is 2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CN(C)C(=O)C1CN(C(=O)C2CCCCC2)CC12CCOCC2.
What is the InChIKey of 2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is ROLXQRKUNVSKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-19(2)17(22)15-12-20(13-18(15)8-10-23-11-9-18)16(21)14-6-4-3-5-7-14/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).