8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C25H28N2O3 — CID 46275263

IUPAC8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2cc(C)cc(C)c2)C2(CCN(Cc3ccccc3)CC2)OC1=O
InChIInChI=1S/C25H28N2O3/c1-17-13-18(2)15-21(14-17)26-23(28)22-19(3)24(29)30-25(22)9-11-27(12-10-25)16-20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3,(H,26,28)
InChIKeyMLECOUVJTDKQRS-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.15
Rot. Bonds4

About 8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 46275263) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID46275263
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2cc(C)cc(C)c2)C2(CCN(Cc3ccccc3)CC2)OC1=O
InChIInChI=1S/C25H28N2O3/c1-17-13-18(2)15-21(14-17)26-23(28)22-19(3)24(29)30-25(22)9-11-27(12-10-25)16-20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3,(H,26,28)
InChIKeyMLECOUVJTDKQRS-UHFFFAOYSA-N
XLogP4.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-benzyl-N-(4-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50757920
8-benzyl-N-(3-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50757913
8-benzyl-3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 46275269
N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 46276222
N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861431
N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861394
2-(4-benzylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2-oxoacetamide
CID 44901961
N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-8-propan-2-yl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50789888
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 16608497
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 70813820
3-methyl-2-oxo-8-(3-phenylpropyl)-N-[2-[3-(trifluoromethyl)anilino]ethyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 123185818

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 46275263) is 8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)Nc2cc(C)cc(C)c2)C2(CCN(Cc3ccccc3)CC2)OC1=O.
What is the InChIKey of 8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is MLECOUVJTDKQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-17-13-18(2)15-21(14-17)26-23(28)22-19(3)24(29)30-25(22)9-11-27(12-10-25)16-20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3,(H,26,28).
What are the key properties of 8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 46275263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).