2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C12H20N2O3 — CID 110876615

IUPAC2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCC(=O)N1CC(C(N)=O)C2(CCOCC2)C1
InChIInChI=1S/C12H20N2O3/c1-2-10(15)14-7-9(11(13)16)12(8-14)3-5-17-6-4-12/h9H,2-8H2,1H3,(H2,13,16)
InChIKeyJZGDHVRKQGRVPS-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.14
Rot. Bonds2

About 2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 110876615) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID110876615
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCC(=O)N1CC(C(N)=O)C2(CCOCC2)C1
InChIInChI=1S/C12H20N2O3/c1-2-10(15)14-7-9(11(13)16)12(8-14)3-5-17-6-4-12/h9H,2-8H2,1H3,(H2,13,16)
InChIKeyJZGDHVRKQGRVPS-UHFFFAOYSA-N
XLogP0.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(Cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 118739124
4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 118740704
2-N,2-N-dimethyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 118740706
[2-(Oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 118743019
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054516
4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054524
N~2~-Isopentyl-4-(piperidinocarbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054528
N-isobutyl-4-(piperidinocarbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054530
N~4~-[2-(Dimethylamino)ethyl]-2-isopentyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924860
2-(cyclohexylcarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924889
2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924891
NN-Dimethyl-2-(4-methylpentanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924894

Frequently Asked Questions

What is the IUPAC name of 2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 110876615) is 2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CCC(=O)N1CC(C(N)=O)C2(CCOCC2)C1.
What is the InChIKey of 2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is JZGDHVRKQGRVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-10(15)14-7-9(11(13)16)12(8-14)3-5-17-6-4-12/h9H,2-8H2,1H3,(H2,13,16).
What are the key properties of 2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 110876615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).