8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C18H19ClN2O4 — CID 50757794

IUPAC8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O4/c1-11-15(16(23)20-14-5-3-4-13(19)10-14)18(25-17(11)24)6-8-21(9-7-18)12(2)22/h3-5,10H,6-9H2,1-2H3,(H,20,23)
InChIKeyUBYLJGTVCCFJEB-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.53
Rot. Bonds2

About 8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 50757794) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID50757794
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O4/c1-11-15(16(23)20-14-5-3-4-13(19)10-14)18(25-17(11)24)6-8-21(9-7-18)12(2)22/h3-5,10H,6-9H2,1-2H3,(H,20,23)
InChIKeyUBYLJGTVCCFJEB-UHFFFAOYSA-N
XLogP2.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861394
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-acetyl-3-methyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 46275292
N-[(3-chlorophenyl)methyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861378
8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 46275263
3-[(4aR,8aR)-7-acetyl-4a-hydroxy-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-N-(3-chlorophenyl)propanamide
CID 91841580
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 10715343
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220
8-benzoyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxylic acid
CID 53212527
4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23071803

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 50757794) is 8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is UBYLJGTVCCFJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-11-15(16(23)20-14-5-3-4-13(19)10-14)18(25-17(11)24)6-8-21(9-7-18)12(2)22/h3-5,10H,6-9H2,1-2H3,(H,20,23).
What are the key properties of 8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 362.81 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 50757794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).