3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione

C19H23Cl2NO3 — CID 90688550

IUPAC3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione
SMILESCCOC1(C)CCC2(CC1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)C2=O
InChIInChI=1S/C19H23Cl2NO3/c1-4-25-18(3)5-7-19(8-6-18)16(23)15(17(24)22-19)14-11(2)9-12(20)10-13(14)21/h9-10,15H,4-8H2,1-3H3,(H,22,24)
InChIKeyGVWIYTKTTCYSFQ-UHFFFAOYSA-N
MW384.30 g/mol
LogP4.19
Rot. Bonds3

About 3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione

3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 90688550) has the molecular formula C19H23Cl2NO3 and a molecular weight of 384.30 g/mol. Its IUPAC name is 3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione
PubChem CID90688550
Molecular FormulaC19H23Cl2NO3
Molecular Weight384.30 g/mol
Exact Mass383.11
IUPAC Name3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione
SMILESCCOC1(C)CCC2(CC1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)C2=O
InChIInChI=1S/C19H23Cl2NO3/c1-4-25-18(3)5-7-19(8-6-18)16(23)15(17(24)22-19)14-11(2)9-12(20)10-13(14)21/h9-10,15H,4-8H2,1-3H3,(H,22,24)
InChIKeyGVWIYTKTTCYSFQ-UHFFFAOYSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dichloro-6-methylphenyl)-8-methoxy-1-azaspiro[4.4]nonane-2,4-dione
CID 67439161
3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
CID 142928635
3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 91599739
3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one
CID 91363989
3-(2-chloro-4,6-dimethylphenyl)-7-methyl-8-oxa-1-azaspiro[4.5]decane-2,4-dione
CID 91132647
3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 58031200
3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91212908
8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 141228401
3-(2,6-diethyl-4-methylphenyl)-8-(hydroxymethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 90786668
2-(2,4-dichloro-6-methylphenyl)-5,6-dimethyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione
CID 91175314
3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione
CID 91213569
3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-5-(methoxymethyl)-5-methylpyrrolidine-2,4-dione
CID 67493809

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione (CID 90688550) is 3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione is CCOC1(C)CCC2(CC1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)C2=O.
What is the InChIKey of 3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is GVWIYTKTTCYSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO3/c1-4-25-18(3)5-7-19(8-6-18)16(23)15(17(24)22-19)14-11(2)9-12(20)10-13(14)21/h9-10,15H,4-8H2,1-3H3,(H,22,24).
What are the key properties of 3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione?
3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 384.30 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 90688550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).