N-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C17H24N2O2 — CID 110203877

IUPACN-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C17H24N2O2/c20-16(18-14-15-6-2-1-3-7-15)19-11-9-17(10-12-19)8-4-5-13-21-17/h1-3,6-7H,4-5,8-14H2,(H,18,20)
InChIKeyFTIIKBODRKFCTM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.93
Rot. Bonds2

About N-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

N-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 110203877) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID110203877
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C17H24N2O2/c20-16(18-14-15-6-2-1-3-7-15)19-11-9-17(10-12-19)8-4-5-13-21-17/h1-3,6-7H,4-5,8-14H2,(H,18,20)
InChIKeyFTIIKBODRKFCTM-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 110203877) is N-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is O=C(NCc1ccccc1)N1CCC2(CCCCO2)CC1.
What is the InChIKey of N-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is FTIIKBODRKFCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-16(18-14-15-6-2-1-3-7-15)19-11-9-17(10-12-19)8-4-5-13-21-17/h1-3,6-7H,4-5,8-14H2,(H,18,20).
What are the key properties of N-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
N-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 110203877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).