3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione

C18H22ClNO4 — CID 91599739

IUPAC3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
SMILESCOc1cc(Cl)cc(C)c1C1C(=O)NC2(CCC(OC)CC2)C1=O
InChIInChI=1S/C18H22ClNO4/c1-10-8-11(19)9-13(24-3)14(10)15-16(21)18(20-17(15)22)6-4-12(23-2)5-7-18/h8-9,12,15H,4-7H2,1-3H3,(H,20,22)
InChIKeyMGEGPBXKEREXIE-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.77
Rot. Bonds3

About 3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione

3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 91599739) has the molecular formula C18H22ClNO4 and a molecular weight of 351.83 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
PubChem CID91599739
Molecular FormulaC18H22ClNO4
Molecular Weight351.83 g/mol
Exact Mass351.12
IUPAC Name3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
SMILESCOc1cc(Cl)cc(C)c1C1C(=O)NC2(CCC(OC)CC2)C1=O
InChIInChI=1S/C18H22ClNO4/c1-10-8-11(19)9-13(24-3)14(10)15-16(21)18(20-17(15)22)6-4-12(23-2)5-7-18/h8-9,12,15H,4-7H2,1-3H3,(H,20,22)
InChIKeyMGEGPBXKEREXIE-UHFFFAOYSA-N
XLogP2.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chloro-5-(3,4-difluorophenyl)phenyl]-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 77242693
[3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 59758675
3-(2-bromo-5-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 77256763
8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 141228401
3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione
CID 90688550
3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 71034928
3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 58031200
ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate
CID 123163602
3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 58989225
3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91212908
3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
CID 142928635

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione (CID 91599739) is 3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione is COc1cc(Cl)cc(C)c1C1C(=O)NC2(CCC(OC)CC2)C1=O.
What is the InChIKey of 3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is MGEGPBXKEREXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4/c1-10-8-11(19)9-13(24-3)14(10)15-16(21)18(20-17(15)22)6-4-12(23-2)5-7-18/h8-9,12,15H,4-7H2,1-3H3,(H,20,22).
What are the key properties of 3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione?
3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 351.83 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 91599739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).