3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione

C20H29NO4 — CID 42947875

IUPAC3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(CC(O)COc2ccccc2C(C)C)C1=O
InChIInChI=1S/C20H29NO4/c1-5-20(6-2)11-18(23)21(19(20)24)12-15(22)13-25-17-10-8-7-9-16(17)14(3)4/h7-10,14-15,22H,5-6,11-13H2,1-4H3
InChIKeyRXIWPMUBKRCRGZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.12
Rot. Bonds8

About 3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione

3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione (PubChem CID 42947875) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione
PubChem CID42947875
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(CC(O)COc2ccccc2C(C)C)C1=O
InChIInChI=1S/C20H29NO4/c1-5-20(6-2)11-18(23)21(19(20)24)12-15(22)13-25-17-10-8-7-9-16(17)14(3)4/h7-10,14-15,22H,5-6,11-13H2,1-4H3
InChIKeyRXIWPMUBKRCRGZ-UHFFFAOYSA-N
XLogP3.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione
CID 18086989
3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-methylimidazolidine-2,4-dione
CID 18086840
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-3,3-diethylpyrrolidine-2,5-dione
CID 42947874
(3aR,7aS)-2-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51642300
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 18266768
(5R)-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570355
(8aS)-2-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 52541592
3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 18204838
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674
2-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 46613459
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 93020853

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione (CID 42947875) is 3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(CC(O)COc2ccccc2C(C)C)C1=O.
What is the InChIKey of 3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione?
The InChIKey is RXIWPMUBKRCRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-5-20(6-2)11-18(23)21(19(20)24)12-15(22)13-25-17-10-8-7-9-16(17)14(3)4/h7-10,14-15,22H,5-6,11-13H2,1-4H3.
What are the key properties of 3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione?
3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione has a molecular weight of 347.46 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 42947875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).