3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione

C18H21Cl2NO3 — CID 66781292

IUPAC3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione
SMILESCOCC1CCCC2(C1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)C2=O
InChIInChI=1S/C18H21Cl2NO3/c1-10-6-12(19)7-13(20)14(10)15-16(22)18(21-17(15)23)5-3-4-11(8-18)9-24-2/h6-7,11,15H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyUFCQGVWMLFNBGX-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.66
Rot. Bonds3

About 3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione

3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 66781292) has the molecular formula C18H21Cl2NO3 and a molecular weight of 370.28 g/mol. Its IUPAC name is 3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione
PubChem CID66781292
Molecular FormulaC18H21Cl2NO3
Molecular Weight370.28 g/mol
Exact Mass369.09
IUPAC Name3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione
SMILESCOCC1CCCC2(C1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)C2=O
InChIInChI=1S/C18H21Cl2NO3/c1-10-6-12(19)7-13(20)14(10)15-16(22)18(21-17(15)23)5-3-4-11(8-18)9-24-2/h6-7,11,15H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyUFCQGVWMLFNBGX-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.66
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione (CID 66781292) is 3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione is COCC1CCCC2(C1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)C2=O.
What is the InChIKey of 3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is UFCQGVWMLFNBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO3/c1-10-6-12(19)7-13(20)14(10)15-16(22)18(21-17(15)23)5-3-4-11(8-18)9-24-2/h6-7,11,15H,3-5,8-9H2,1-2H3,(H,21,23).
What are the key properties of 3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione?
3-(2,4-dichloro-6-methylphenyl)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 370.28 g/mol, XLogP of 3.66, 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)-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 66781292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).