1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione

C22H36N2O7 — CID 134403550

IUPAC1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESCC(C)[C@@H]1CCN(C(=O)CCOCCOCCOCCOCCN2C(=O)C=CC2=O)C1
InChIInChI=1S/C22H36N2O7/c1-18(2)19-5-7-23(17-19)20(25)6-9-28-11-13-30-15-16-31-14-12-29-10-8-24-21(26)3-4-22(24)27/h3-4,18-19H,5-17H2,1-2H3/t19-/m1/s1
InChIKeyTZDCWPQNLIEQMG-LJQANCHMSA-N
MW440.54 g/mol
LogP0.87
Rot. Bonds16

About 1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione

1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (PubChem CID 134403550) has the molecular formula C22H36N2O7 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
PubChem CID134403550
Molecular FormulaC22H36N2O7
Molecular Weight440.54 g/mol
Exact Mass440.25
IUPAC Name1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESCC(C)[C@@H]1CCN(C(=O)CCOCCOCCOCCOCCN2C(=O)C=CC2=O)C1
InChIInChI=1S/C22H36N2O7/c1-18(2)19-5-7-23(17-19)20(25)6-9-28-11-13-30-15-16-31-14-12-29-10-8-24-21(26)3-4-22(24)27/h3-4,18-19H,5-17H2,1-2H3/t19-/m1/s1
InChIKeyTZDCWPQNLIEQMG-LJQANCHMSA-N
XLogP0.87
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[6-oxo-6-[(3R)-3-propan-2-ylpyrrolidin-1-yl]hexyl]pyrrole-2,5-dione
CID 134403317
1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione
CID 121327641
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-propoxypropan-1-one
CID 103975895
1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 139443419
3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115905128
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-ethylpropanamide
CID 144940675
3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
CID 58395437
ethane;1-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]pyrrole-2,5-dione
CID 145076820
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide
CID 59129901
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 167479469
methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione
CID 158080299
3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide
CID 71127231

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (CID 134403550) is 1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is CC(C)[C@@H]1CCN(C(=O)CCOCCOCCOCCOCCN2C(=O)C=CC2=O)C1.
What is the InChIKey of 1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The InChIKey is TZDCWPQNLIEQMG-LJQANCHMSA-N. The full InChI is InChI=1S/C22H36N2O7/c1-18(2)19-5-7-23(17-19)20(25)6-9-28-11-13-30-15-16-31-14-12-29-10-8-24-21(26)3-4-22(24)27/h3-4,18-19H,5-17H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione has a molecular weight of 440.54 g/mol, XLogP of 0.87, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 134403550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).