N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide

C20H32N2O3 — CID 155870571

IUPACN-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide
SMILESCOCCN1C(=O)CCC12CCC(NC(=O)C1(C)CC=CCC1)CC2
InChIInChI=1S/C20H32N2O3/c1-19(9-4-3-5-10-19)18(24)21-16-6-11-20(12-7-16)13-8-17(23)22(20)14-15-25-2/h3-4,16H,5-15H2,1-2H3,(H,21,24)
InChIKeyKSDMOPOYSQAATI-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.80
Rot. Bonds5

About N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide

N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide (PubChem CID 155870571) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide
PubChem CID155870571
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide
SMILESCOCCN1C(=O)CCC12CCC(NC(=O)C1(C)CC=CCC1)CC2
InChIInChI=1S/C20H32N2O3/c1-19(9-4-3-5-10-19)18(24)21-16-6-11-20(12-7-16)13-8-17(23)22(20)14-15-25-2/h3-4,16H,5-15H2,1-2H3,(H,21,24)
InChIKeyKSDMOPOYSQAATI-UHFFFAOYSA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-{2-[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl}-5-{2-[(2-methoxyethyl)amino]ethyl}-2-pyrrolidinone
CID 118755195
(5S)-1-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
CID 125160429
(5R)-1-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
CID 125160434
1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide
CID 155870100

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide (CID 155870571) is N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide is COCCN1C(=O)CCC12CCC(NC(=O)C1(C)CC=CCC1)CC2.
What is the InChIKey of N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is KSDMOPOYSQAATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-19(9-4-3-5-10-19)18(24)21-16-6-11-20(12-7-16)13-8-17(23)22(20)14-15-25-2/h3-4,16H,5-15H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide?
N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-1-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 155870571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).