N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

C21H30N2O2 — CID 156607968

IUPACN-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NC1CCCCC1c1ccccc1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C21H30N2O2/c24-20(23-14-12-21(13-15-23)11-6-16-25-21)22-19-10-5-4-9-18(19)17-7-2-1-3-8-17/h1-3,7-8,18-19H,4-6,9-16H2,(H,22,24)
InChIKeyHOSIVQJHTOYOAF-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.07
Rot. Bonds2

About N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 156607968) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID156607968
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NC1CCCCC1c1ccccc1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C21H30N2O2/c24-20(23-14-12-21(13-15-23)11-6-16-25-21)22-19-10-5-4-9-18(19)17-7-2-1-3-8-17/h1-3,7-8,18-19H,4-6,9-16H2,(H,22,24)
InChIKeyHOSIVQJHTOYOAF-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 156607968) is N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is O=C(NC1CCCCC1c1ccccc1)N1CCC2(CCCO2)CC1.
What is the InChIKey of N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is HOSIVQJHTOYOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(23-14-12-21(13-15-23)11-6-16-25-21)22-19-10-5-4-9-18(19)17-7-2-1-3-8-17/h1-3,7-8,18-19H,4-6,9-16H2,(H,22,24).
What are the key properties of N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 156607968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).