3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide

C37H67N5O3 — CID 70393337

IUPAC3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCCCCCCCCCC=CC1CC(=O)N(NC(=O)CCN(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C37H67N5O3/c1-10-11-12-13-14-15-16-17-18-19-20-28-23-32(44)42(33(28)45)38-31(43)21-22-41(29-24-34(2,3)39-35(4,5)25-29)30-26-36(6,7)40-37(8,9)27-30/h19-20,28-30,39-40H,10-18,21-27H2,1-9H3,(H,38,43)
InChIKeyURNCJPMMYUMFGD-UHFFFAOYSA-N
MW629.97 g/mol
LogP6.79
Rot. Bonds16

About 3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide

3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 70393337) has the molecular formula C37H67N5O3 and a molecular weight of 629.97 g/mol. Its IUPAC name is 3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound Name3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID70393337
Molecular FormulaC37H67N5O3
Molecular Weight629.97 g/mol
Exact Mass629.52
IUPAC Name3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCCCCCCCCCC=CC1CC(=O)N(NC(=O)CCN(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C37H67N5O3/c1-10-11-12-13-14-15-16-17-18-19-20-28-23-32(44)42(33(28)45)38-31(43)21-22-41(29-24-34(2,3)39-35(4,5)25-29)30-26-36(6,7)40-37(8,9)27-30/h19-20,28-30,39-40H,10-18,21-27H2,1-9H3,(H,38,43)
InChIKeyURNCJPMMYUMFGD-UHFFFAOYSA-N
XLogP6.79
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.97
LogP ≤ 56.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of 3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 70393337) is 3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for 3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for 3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide is CCCCCCCCCCC=CC1CC(=O)N(NC(=O)CCN(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)C1=O.
What is the InChIKey of 3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is URNCJPMMYUMFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H67N5O3/c1-10-11-12-13-14-15-16-17-18-19-20-28-23-32(44)42(33(28)45)38-31(43)21-22-41(29-24-34(2,3)39-35(4,5)25-29)30-26-36(6,7)40-37(8,9)27-30/h19-20,28-30,39-40H,10-18,21-27H2,1-9H3,(H,38,43).
What are the key properties of 3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide?
3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 629.97 g/mol, XLogP of 6.79, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 70393337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).