1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide

C24H33N3O3 — CID 5459724

IUPAC1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide
SMILESCC1(C(=O)NCCN2CCOCC2)C=CC2(CCCCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C24H33N3O3/c1-23(22(29)25-14-15-26-16-18-30-19-17-26)12-13-24(10-6-3-7-11-24)27(23)21(28)20-8-4-2-5-9-20/h2,4-5,8-9,12-13H,3,6-7,10-11,14-19H2,1H3,(H,25,29)
InChIKeyHUQOYUIXGJHFGX-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.61
Rot. Bonds5

About 1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide

1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide (PubChem CID 5459724) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide
PubChem CID5459724
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide
SMILESCC1(C(=O)NCCN2CCOCC2)C=CC2(CCCCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C24H33N3O3/c1-23(22(29)25-14-15-26-16-18-30-19-17-26)12-13-24(10-6-3-7-11-24)27(23)21(28)20-8-4-2-5-9-20/h2,4-5,8-9,12-13H,3,6-7,10-11,14-19H2,1H3,(H,25,29)
InChIKeyHUQOYUIXGJHFGX-UHFFFAOYSA-N
XLogP2.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
Npc171139
CID 9832120
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
Aurantiamide Acetate
CID 10026486
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
3,4-dimethyl-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 1105927
4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 4784804
N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 570439
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide
CID 2164117
Mdl 101146
CID 46936357
Benzamide, N-(2-phenyl-1-(1-piperidinylcarbonyl)ethenyl)-, (E)-
CID 781134
N-[1-(2-Morpholin-4-yl-ethylcarbamoyl)-2-phenyl-vinyl]-benzamide
CID 2873163

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide?
The IUPAC name of 1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide (CID 5459724) is 1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide.
What is the SMILES notation for 1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide?
The canonical SMILES for 1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide is CC1(C(=O)NCCN2CCOCC2)C=CC2(CCCCC2)N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide?
The InChIKey is HUQOYUIXGJHFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-23(22(29)25-14-15-26-16-18-30-19-17-26)12-13-24(10-6-3-7-11-24)27(23)21(28)20-8-4-2-5-9-20/h2,4-5,8-9,12-13H,3,6-7,10-11,14-19H2,1H3,(H,25,29).
What are the key properties of 1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide?
1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide is sourced from PubChem (CID 5459724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).