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

C17H30N2O3 — CID 91924891

IUPAC2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCC(CC)C(=O)N1CC(C(=O)N(C)C)C2(CCOCC2)C1
InChIInChI=1S/C17H30N2O3/c1-5-13(6-2)15(20)19-11-14(16(21)18(3)4)17(12-19)7-9-22-10-8-17/h13-14H,5-12H2,1-4H3
InChIKeyIXKYIUAKJOSAJC-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.77
Rot. Bonds4

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

2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924891) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91924891
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCC(CC)C(=O)N1CC(C(=O)N(C)C)C2(CCOCC2)C1
InChIInChI=1S/C17H30N2O3/c1-5-13(6-2)15(20)19-11-14(16(21)18(3)4)17(12-19)7-9-22-10-8-17/h13-14H,5-12H2,1-4H3
InChIKeyIXKYIUAKJOSAJC-UHFFFAOYSA-N
XLogP1.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924891) is 2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CCC(CC)C(=O)N1CC(C(=O)N(C)C)C2(CCOCC2)C1.
What is the InChIKey of 2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is IXKYIUAKJOSAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-5-13(6-2)15(20)19-11-14(16(21)18(3)4)17(12-19)7-9-22-10-8-17/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutanoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).