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

C20H27Cl2N3O3 — CID 123997582

IUPACN-[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
SMILESCCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCC/N=C1\C=C(Cl)CC(Cl)C1
InChIInChI=1S/C20H27Cl2N3O3/c1-3-25-8-4-20(5-9-25)17(13(2)19(27)28-20)18(26)24-7-6-23-16-11-14(21)10-15(22)12-16/h11,15H,3-10,12H2,1-2H3,(H,24,26)/b23-16+
InChIKeyBFLXZVUENWYNHW-XQNSMLJCSA-N
MW428.36 g/mol
LogP2.80
Rot. Bonds5

About 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

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 (PubChem CID 123997582) has the molecular formula C20H27Cl2N3O3 and a molecular weight of 428.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID123997582
Molecular FormulaC20H27Cl2N3O3
Molecular Weight428.36 g/mol
Exact Mass427.14
IUPAC NameN-[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
SMILESCCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCC/N=C1\C=C(Cl)CC(Cl)C1
InChIInChI=1S/C20H27Cl2N3O3/c1-3-25-8-4-20(5-9-25)17(13(2)19(27)28-20)18(26)24-7-6-23-16-11-14(21)10-15(22)12-16/h11,15H,3-10,12H2,1-2H3,(H,24,26)/b23-16+
InChIKeyBFLXZVUENWYNHW-XQNSMLJCSA-N
XLogP2.80
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 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
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
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
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
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-[2-(cyclohexen-1-yl)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20906666
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
8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20906739
8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 70813820
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 20906660
ethyl 4-(3-methoxypropylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 46275328

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCC/N=C1\C=C(Cl)CC(Cl)C1.
What is the InChIKey of 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?
The InChIKey is BFLXZVUENWYNHW-XQNSMLJCSA-N. The full InChI is InChI=1S/C20H27Cl2N3O3/c1-3-25-8-4-20(5-9-25)17(13(2)19(27)28-20)18(26)24-7-6-23-16-11-14(21)10-15(22)12-16/h11,15H,3-10,12H2,1-2H3,(H,24,26)/b23-16+.
What are the key properties of 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?
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 has a molecular weight of 428.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123997582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).