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

C20H26ClNO3 — CID 69437734

IUPAC3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
SMILESCCc1cc(Cl)cc(CC)c1C1C(=O)NC2(CCC(OC)CC2)C1=O
InChIInChI=1S/C20H26ClNO3/c1-4-12-10-14(21)11-13(5-2)16(12)17-18(23)20(22-19(17)24)8-6-15(25-3)7-9-20/h10-11,15,17H,4-9H2,1-3H3,(H,22,24)
InChIKeyMJONYGMHAQBHNF-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.58
Rot. Bonds4

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

3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 69437734) has the molecular formula C20H26ClNO3 and a molecular weight of 363.89 g/mol. Its IUPAC name is 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
PubChem CID69437734
Molecular FormulaC20H26ClNO3
Molecular Weight363.89 g/mol
Exact Mass363.16
IUPAC Name3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
SMILESCCc1cc(Cl)cc(CC)c1C1C(=O)NC2(CCC(OC)CC2)C1=O
InChIInChI=1S/C20H26ClNO3/c1-4-12-10-14(21)11-13(5-2)16(12)17-18(23)20(22-19(17)24)8-6-15(25-3)7-9-20/h10-11,15,17H,4-9H2,1-3H3,(H,22,24)
InChIKeyMJONYGMHAQBHNF-UHFFFAOYSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.58
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-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione (CID 69437734) is 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione is CCc1cc(Cl)cc(CC)c1C1C(=O)NC2(CCC(OC)CC2)C1=O.
What is the InChIKey of 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is MJONYGMHAQBHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO3/c1-4-12-10-14(21)11-13(5-2)16(12)17-18(23)20(22-19(17)24)8-6-15(25-3)7-9-20/h10-11,15,17H,4-9H2,1-3H3,(H,22,24).
What are the key properties of 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione?
3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 363.89 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 69437734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).