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

C20H23ClN2O4 — CID 20906739

IUPAC8-acetyl-N-[2-(4-chlorophenyl)ethyl]-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)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O4/c1-13-17(18(25)22-10-7-15-3-5-16(21)6-4-15)20(27-19(13)26)8-11-23(12-9-20)14(2)24/h3-6H,7-12H2,1-2H3,(H,22,25)
InChIKeyPKKLNSWVLVDQBD-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.25
Rot. Bonds4

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

8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906739) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906739
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name8-acetyl-N-[2-(4-chlorophenyl)ethyl]-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)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O4/c1-13-17(18(25)22-10-7-15-3-5-16(21)6-4-15)20(27-19(13)26)8-11-23(12-9-20)14(2)24/h3-6H,7-12H2,1-2H3,(H,22,25)
InChIKeyPKKLNSWVLVDQBD-UHFFFAOYSA-N
XLogP2.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-ethylsulfonyl-3-methyl-2-oxo-N-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50789876
3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861344
3,8-dimethyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861366
N-[2-(4-ethoxyphenyl)ethyl]-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 6622238
8-benzyl-N-(4-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50757920
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
3-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 20910725
ethyl 4-(3-methoxypropylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 46275328
4-acetyl-N-[2-(4-chlorophenyl)ethyl]-1,4-diazepane-1-carbothioamide
CID 3773187
2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 22427222
7-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide
CID 138012782
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906739) is 8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-acetyl-N-[2-(4-chlorophenyl)ethyl]-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)NCCc1ccc(Cl)cc1.
What is the InChIKey of 8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is PKKLNSWVLVDQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-13-17(18(25)22-10-7-15-3-5-16(21)6-4-15)20(27-19(13)26)8-11-23(12-9-20)14(2)24/h3-6H,7-12H2,1-2H3,(H,22,25).
What are the key properties of 8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).