8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C22H30F3N3O4 — CID 123793687

IUPAC8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCC/N=C1/CC(C(F)(F)F)CC=C1OC
InChIInChI=1S/C22H30F3N3O4/c1-4-28-11-7-21(8-12-28)18(14(2)20(30)32-21)19(29)27-10-9-26-16-13-15(22(23,24)25)5-6-17(16)31-3/h6,15H,4-5,7-13H2,1-3H3,(H,27,29)/b26-16-
InChIKeyPXKXUBUEMUHVHH-QQXSKIMKSA-N
MW457.49 g/mol
LogP2.77
Rot. Bonds6

About 8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 123793687) has the molecular formula C22H30F3N3O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is 8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID123793687
Molecular FormulaC22H30F3N3O4
Molecular Weight457.49 g/mol
Exact Mass457.22
IUPAC Name8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCC/N=C1/CC(C(F)(F)F)CC=C1OC
InChIInChI=1S/C22H30F3N3O4/c1-4-28-11-7-21(8-12-28)18(14(2)20(30)32-21)19(29)27-10-9-26-16-13-15(22(23,24)25)5-6-17(16)31-3/h6,15H,4-5,7-13H2,1-3H3,(H,27,29)/b26-16-
InChIKeyPXKXUBUEMUHVHH-QQXSKIMKSA-N
XLogP2.77
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide with MolForge

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Related Compounds

8-ethyl-3-methyl-N-[2-[[2-methyl-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 123534617
N-[2-[(3,5-dichlorocyclohex-2-en-1-ylidene)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 123997582
7-ethyl-3-methyl-2-oxo-N-[2-[[3-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-1-oxa-7-azaspiro[4.4]non-3-ene-4-carboxamide
CID 123331089
N-[2-(azepan-1-yl)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20906684
N-[2-(cyclohexen-1-yl)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20906666
8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 70813820
8-ethyl-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 92688971
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20910742
8-acetyl-3-methyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 46275292
ethyl 4-(3-methoxypropylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 46275328
8-ethyl-4-[5-[4-hydroxy-3-(trifluoromethyl)anilino]pentanoyl]-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 162558684
ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 92689010

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 123793687) is 8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCC/N=C1/CC(C(F)(F)F)CC=C1OC.
What is the InChIKey of 8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is PXKXUBUEMUHVHH-QQXSKIMKSA-N. The full InChI is InChI=1S/C22H30F3N3O4/c1-4-28-11-7-21(8-12-28)18(14(2)20(30)32-21)19(29)27-10-9-26-16-13-15(22(23,24)25)5-6-17(16)31-3/h6,15H,4-5,7-13H2,1-3H3,(H,27,29)/b26-16-.
What are the key properties of 8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-N-[2-[[2-methoxy-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 123793687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).