3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione

C22H38N2O3 — CID 134402052

IUPAC3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)C1CC(=O)N(CCCCCC(=O)N2CC[C@H](C(C)(C)C)C2)C1=O
InChIInChI=1S/C22H38N2O3/c1-21(2,3)16-11-13-23(15-16)18(25)10-8-7-9-12-24-19(26)14-17(20(24)27)22(4,5)6/h16-17H,7-15H2,1-6H3/t16-,17?/m0/s1
InChIKeyCOZPKUGJIXAYLH-BHWOMJMDSA-N
MW378.56 g/mol
LogP3.86
Rot. Bonds6

About 3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione

3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione (PubChem CID 134402052) has the molecular formula C22H38N2O3 and a molecular weight of 378.56 g/mol. Its IUPAC name is 3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione
PubChem CID134402052
Molecular FormulaC22H38N2O3
Molecular Weight378.56 g/mol
Exact Mass378.29
IUPAC Name3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)C1CC(=O)N(CCCCCC(=O)N2CC[C@H](C(C)(C)C)C2)C1=O
InChIInChI=1S/C22H38N2O3/c1-21(2,3)16-11-13-23(15-16)18(25)10-8-7-9-12-24-19(26)14-17(20(24)27)22(4,5)6/h16-17H,7-15H2,1-6H3/t16-,17?/m0/s1
InChIKeyCOZPKUGJIXAYLH-BHWOMJMDSA-N
XLogP3.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

3-tert-butyl-1-[7-[(3R)-3-tert-butylpyrrolidin-1-yl]-7-oxoheptyl]pyrrolidine-2,5-dione
CID 134402061
3-tert-butyl-1-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]pyrrolidine-2,5-dione
CID 134403475
1-(3-tert-butylpyrrolidin-1-yl)-13-(2-methylidene-5-oxopyrrol-1-yl)tridecane-1,8-dione
CID 157058851
1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 134403407
1-(3-tert-butylpyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107034817
1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
CID 164585932
6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2,2-dimethylpropanoyl(methyl)amino]ethyl]-N-methylhexanamide
CID 176877362
6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 162456959
3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione
CID 58051575
1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one
CID 134402025
1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione
CID 165403609
1-(3-tert-butylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 113417353

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione (CID 134402052) is 3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione is CC(C)(C)C1CC(=O)N(CCCCCC(=O)N2CC[C@H](C(C)(C)C)C2)C1=O.
What is the InChIKey of 3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione?
The InChIKey is COZPKUGJIXAYLH-BHWOMJMDSA-N. The full InChI is InChI=1S/C22H38N2O3/c1-21(2,3)16-11-13-23(15-16)18(25)10-8-7-9-12-24-19(26)14-17(20(24)27)22(4,5)6/h16-17H,7-15H2,1-6H3/t16-,17?/m0/s1.
What are the key properties of 3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione?
3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione has a molecular weight of 378.56 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134402052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).