N-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide

C13H22N2O2 — CID 110203997

IUPACN-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
SMILESCCNC(=O)C1N(C(C)C)C(=O)C12CCCC2
InChIInChI=1S/C13H22N2O2/c1-4-14-11(16)10-13(7-5-6-8-13)12(17)15(10)9(2)3/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyCPHUJCQXRIKMRN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds3

About N-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide

N-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide (PubChem CID 110203997) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
PubChem CID110203997
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
SMILESCCNC(=O)C1N(C(C)C)C(=O)C12CCCC2
InChIInChI=1S/C13H22N2O2/c1-4-14-11(16)10-13(7-5-6-8-13)12(17)15(10)9(2)3/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyCPHUJCQXRIKMRN-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-(2-oxo-1-azetidinyl)cyclopentanecarboxamide
CID 830663
N~1~,N~1~-Diethyl-2-isopropyl-3-oxo-2-azaspiro[3.4]octane-1-carboxamide
CID 110204009
3-Oxo-2-(propan-2-YL)-N-propyl-2-azaspiro[3.4]octane-1-carboxamide
CID 110204012
N-(cyclohexylmethyl)-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
CID 124053886
N-(2-{[1,4'-Bipiperidin]-1'-YL}ethyl)-3-oxo-2-(propan-2-YL)-2-azaspiro[3.4]octane-1-carboxamide
CID 91912860
3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
CID 91925461
3-Oxo-N-(prop-2-EN-1-YL)-2-(propan-2-YL)-2-azaspiro[3.4]octane-1-carboxamide
CID 110203996
N-cyclohexyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
CID 110204000
1-(4-Methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one
CID 110204003
N-Cyclopentyl-3-oxo-2-(propan-2-YL)-2-azaspiro[3.4]octane-1-carboxamide
CID 110204004
N-cyclopropyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
CID 110204005
N-(2-methylpropyl)-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
CID 110204006

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The IUPAC name of N-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide (CID 110203997) is N-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide.
What is the SMILES notation for N-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The canonical SMILES for N-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide is CCNC(=O)C1N(C(C)C)C(=O)C12CCCC2.
What is the InChIKey of N-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The InChIKey is CPHUJCQXRIKMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-14-11(16)10-13(7-5-6-8-13)12(17)15(10)9(2)3/h9-10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
N-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide is sourced from PubChem (CID 110203997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).