1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide

C25H48N4O2 — CID 138724233

IUPAC1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide
SMILESCN1C(C)(C)CC(C(=O)NCCCCCCNC(=O)C2CC(C)(C)NC2(C)C)C1(C)C
InChIInChI=1S/C25H48N4O2/c1-22(2)16-18(24(5,6)28-22)20(30)26-14-12-10-11-13-15-27-21(31)19-17-23(3,4)29(9)25(19,7)8/h18-19,28H,10-17H2,1-9H3,(H,26,30)(H,27,31)
InChIKeyGUWYEQBBOSIWIX-UHFFFAOYSA-N
MW436.69 g/mol
LogP3.45
Rot. Bonds9

About 1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide

1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide (PubChem CID 138724233) has the molecular formula C25H48N4O2 and a molecular weight of 436.69 g/mol. Its IUPAC name is 1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide
PubChem CID138724233
Molecular FormulaC25H48N4O2
Molecular Weight436.69 g/mol
Exact Mass436.38
IUPAC Name1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide
SMILESCN1C(C)(C)CC(C(=O)NCCCCCCNC(=O)C2CC(C)(C)NC2(C)C)C1(C)C
InChIInChI=1S/C25H48N4O2/c1-22(2)16-18(24(5,6)28-22)20(30)26-14-12-10-11-13-15-27-21(31)19-17-23(3,4)29(9)25(19,7)8/h18-19,28H,10-17H2,1-9H3,(H,26,30)(H,27,31)
InChIKeyGUWYEQBBOSIWIX-UHFFFAOYSA-N
XLogP3.45
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.69
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide (CID 138724233) is 1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide is CN1C(C)(C)CC(C(=O)NCCCCCCNC(=O)C2CC(C)(C)NC2(C)C)C1(C)C.
What is the InChIKey of 1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide?
The InChIKey is GUWYEQBBOSIWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N4O2/c1-22(2)16-18(24(5,6)28-22)20(30)26-14-12-10-11-13-15-27-21(31)19-17-23(3,4)29(9)25(19,7)8/h18-19,28H,10-17H2,1-9H3,(H,26,30)(H,27,31).
What are the key properties of 1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide?
1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide has a molecular weight of 436.69 g/mol, XLogP of 3.45, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 138724233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).