2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione

C19H23NO5 — CID 47011702

IUPAC2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCOc1ccc(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1OC
InChIInChI=1S/C19H23NO5/c1-24-15-7-6-13(10-16(15)25-2)14(21)12-20-17(22)11-19(18(20)23)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3
InChIKeyYUZCGHNMYIXGDI-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.60
Rot. Bonds5

About 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione

2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 47011702) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID47011702
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCOc1ccc(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1OC
InChIInChI=1S/C19H23NO5/c1-24-15-7-6-13(10-16(15)25-2)14(21)12-20-17(22)11-19(18(20)23)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3
InChIKeyYUZCGHNMYIXGDI-UHFFFAOYSA-N
XLogP2.60
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 17411430
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17470835
(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 9235710
2-[(3-bromo-4-methoxyphenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17477501
2-[1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004384
3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18075337
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7883923
2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-azaspiro[4.5]decane-1,3-dione
CID 9285187
2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 17469781
(5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52529593
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 18099222
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide
CID 61127702

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione (CID 47011702) is 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione is COc1ccc(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is YUZCGHNMYIXGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-24-15-7-6-13(10-16(15)25-2)14(21)12-20-17(22)11-19(18(20)23)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 345.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 47011702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).