1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione

C22H36N2O6 — CID 155116665

IUPAC1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione
SMILESCC(C)C(C)(C)C(=O)COCCOCCNC(C)(C)C(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C22H36N2O6/c1-16(2)21(3,4)18(26)15-30-14-13-29-12-10-23-22(5,6)17(25)9-11-24-19(27)7-8-20(24)28/h7-8,16,23H,9-15H2,1-6H3
InChIKeyCQSBGGRRLAHZHZ-UHFFFAOYSA-N
MW424.54 g/mol
LogP1.52
Rot. Bonds15

About 1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione

1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione (PubChem CID 155116665) has the molecular formula C22H36N2O6 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione
PubChem CID155116665
Molecular FormulaC22H36N2O6
Molecular Weight424.54 g/mol
Exact Mass424.26
IUPAC Name1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione
SMILESCC(C)C(C)(C)C(=O)COCCOCCNC(C)(C)C(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C22H36N2O6/c1-16(2)21(3,4)18(26)15-30-14-13-29-12-10-23-22(5,6)17(25)9-11-24-19(27)7-8-20(24)28/h7-8,16,23H,9-15H2,1-6H3
InChIKeyCQSBGGRRLAHZHZ-UHFFFAOYSA-N
XLogP1.52
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 51.52
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione (CID 155116665) is 1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione is CC(C)C(C)(C)C(=O)COCCOCCNC(C)(C)C(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione?
The InChIKey is CQSBGGRRLAHZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O6/c1-16(2)21(3,4)18(26)15-30-14-13-29-12-10-23-22(5,6)17(25)9-11-24-19(27)7-8-20(24)28/h7-8,16,23H,9-15H2,1-6H3.
What are the key properties of 1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione?
1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione has a molecular weight of 424.54 g/mol, XLogP of 1.52, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione is sourced from PubChem (CID 155116665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).