3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione

C22H33NO4 — CID 70669178

IUPAC3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione
SMILESCCC1C(C)=CC2CC(C)C(O)C(CC)C2C1C(=O)C1C(=O)NC(C)C1=O
InChIInChI=1S/C22H33NO4/c1-6-14-10(3)8-13-9-11(4)19(24)15(7-2)16(13)17(14)21(26)18-20(25)12(5)23-22(18)27/h8,11-19,24H,6-7,9H2,1-5H3,(H,23,27)
InChIKeyOQXVGRQUIYWNIK-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.52
Rot. Bonds4

About 3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione

3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione (PubChem CID 70669178) has the molecular formula C22H33NO4 and a molecular weight of 375.51 g/mol. Its IUPAC name is 3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione
PubChem CID70669178
Molecular FormulaC22H33NO4
Molecular Weight375.51 g/mol
Exact Mass375.24
IUPAC Name3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione
SMILESCCC1C(C)=CC2CC(C)C(O)C(CC)C2C1C(=O)C1C(=O)NC(C)C1=O
InChIInChI=1S/C22H33NO4/c1-6-14-10(3)8-13-9-11(4)19(24)15(7-2)16(13)17(14)21(26)18-20(25)12(5)23-22(18)27/h8,11-19,24H,6-7,9H2,1-5H3,(H,23,27)
InChIKeyOQXVGRQUIYWNIK-UHFFFAOYSA-N
XLogP2.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-5-methylpyrrolidine-2,4-dione
CID 3843252
methyl 5-methyl-2,4-dioxopyrrolidine-3-carboxylate
CID 126971567
(7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione
CID 129307318
3-[4-(2-but-2-en-2-yl-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-3,5-dioxopyrrolidin-2-yl]-2-hydroxy-2-methylpropanoic acid
CID 75664787
2-ethyl-3-hydroxycyclopropan-1-one
CID 90788395
(1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 59100166
3-(2-butan-2-yl-3,6,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methoxy-5-methyl-1H-pyrrol-2-one
CID 70181467
5-[2-[[2-(3,5-dimethoxyphenyl)-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-7-methoxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-3-methylpyrrolidine-2,4-dione
CID 21338679
(3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 131851987
8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one
CID 56638242
3-tert-butyl-2-ethylcyclobutan-1-ol
CID 81414996
(3S,4R)-4-acetyl-3-ethylazetidin-2-one
CID 131846194

Frequently Asked Questions

What is the IUPAC name of 3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione?
The IUPAC name of 3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione (CID 70669178) is 3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione.
What is the SMILES notation for 3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione?
The canonical SMILES for 3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione is CCC1C(C)=CC2CC(C)C(O)C(CC)C2C1C(=O)C1C(=O)NC(C)C1=O.
What is the InChIKey of 3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione?
The InChIKey is OQXVGRQUIYWNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO4/c1-6-14-10(3)8-13-9-11(4)19(24)15(7-2)16(13)17(14)21(26)18-20(25)12(5)23-22(18)27/h8,11-19,24H,6-7,9H2,1-5H3,(H,23,27).
What are the key properties of 3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione?
3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione has a molecular weight of 375.51 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,8-diethyl-7-hydroxy-3,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methylpyrrolidine-2,4-dione is sourced from PubChem (CID 70669178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).