2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide

C22H43N5O2 — CID 67732288

IUPAC2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NCCNCCNC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1
InChIInChI=1S/C22H43N5O2/c1-19(2)13-15(21(5,6)26-19)17(28)24-11-9-23-10-12-25-18(29)16-14-20(3,4)27-22(16,7)8/h15-16,23,26-27H,9-14H2,1-8H3,(H,24,28)(H,25,29)
InChIKeyLLXWNWSZYTVVFQ-UHFFFAOYSA-N
MW409.62 g/mol
LogP1.14
Rot. Bonds8

About 2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide

2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide (PubChem CID 67732288) has the molecular formula C22H43N5O2 and a molecular weight of 409.62 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide
PubChem CID67732288
Molecular FormulaC22H43N5O2
Molecular Weight409.62 g/mol
Exact Mass409.34
IUPAC Name2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NCCNCCNC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1
InChIInChI=1S/C22H43N5O2/c1-19(2)13-15(21(5,6)26-19)17(28)24-11-9-23-10-12-25-18(29)16-14-20(3,4)27-22(16,7)8/h15-16,23,26-27H,9-14H2,1-8H3,(H,24,28)(H,25,29)
InChIKeyLLXWNWSZYTVVFQ-UHFFFAOYSA-N
XLogP1.14
TPSA94.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 51.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide (CID 67732288) is 2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide is CC1(C)CC(C(=O)NCCNCCNC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is LLXWNWSZYTVVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N5O2/c1-19(2)13-15(21(5,6)26-19)17(28)24-11-9-23-10-12-25-18(29)16-14-20(3,4)27-22(16,7)8/h15-16,23,26-27H,9-14H2,1-8H3,(H,24,28)(H,25,29).
What are the key properties of 2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide?
2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 409.62 g/mol, XLogP of 1.14, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 67732288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).