ethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide

C15H32N2O3 — CID 163257240

IUPACethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide
SMILESCC.CC.CC(O)CN(C)C(=O)N1CCC2(CC1)CO2
InChIInChI=1S/C11H20N2O3.2C2H6/c1-9(14)7-12(2)10(15)13-5-3-11(4-6-13)8-16-11;2*1-2/h9,14H,3-8H2,1-2H3;2*1-2H3
InChIKeyJHYKGUZBOQVMDF-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.34
Rot. Bonds2

About ethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide

ethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide (PubChem CID 163257240) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is ethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide.

Molecular Properties

Compound Nameethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide
PubChem CID163257240
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Nameethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide
SMILESCC.CC.CC(O)CN(C)C(=O)N1CCC2(CC1)CO2
InChIInChI=1S/C11H20N2O3.2C2H6/c1-9(14)7-12(2)10(15)13-5-3-11(4-6-13)8-16-11;2*1-2/h9,14H,3-8H2,1-2H3;2*1-2H3
InChIKeyJHYKGUZBOQVMDF-UHFFFAOYSA-N
XLogP2.34
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide?
The IUPAC name of ethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide (CID 163257240) is ethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide.
What is the SMILES notation for ethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide?
The canonical SMILES for ethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide is CC.CC.CC(O)CN(C)C(=O)N1CCC2(CC1)CO2.
What is the InChIKey of ethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide?
The InChIKey is JHYKGUZBOQVMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.2C2H6/c1-9(14)7-12(2)10(15)13-5-3-11(4-6-13)8-16-11;2*1-2/h9,14H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide?
ethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide is sourced from PubChem (CID 163257240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).