1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide

C23H44N4O2 — CID 138724230

IUPAC1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide
SMILESCN1C(C)(C)CC(C(=O)NCCCCNC(=O)C2CC(C)(C)NC2(C)C)C1(C)C
InChIInChI=1S/C23H44N4O2/c1-20(2)14-16(22(5,6)26-20)18(28)24-12-10-11-13-25-19(29)17-15-21(3,4)27(9)23(17,7)8/h16-17,26H,10-15H2,1-9H3,(H,24,28)(H,25,29)
InChIKeyYJEPYAHOKSCMJD-UHFFFAOYSA-N
MW408.63 g/mol
LogP2.67
Rot. Bonds7

About 1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide

1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide (PubChem CID 138724230) has the molecular formula C23H44N4O2 and a molecular weight of 408.63 g/mol. Its IUPAC name is 1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide
PubChem CID138724230
Molecular FormulaC23H44N4O2
Molecular Weight408.63 g/mol
Exact Mass408.35
IUPAC Name1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide
SMILESCN1C(C)(C)CC(C(=O)NCCCCNC(=O)C2CC(C)(C)NC2(C)C)C1(C)C
InChIInChI=1S/C23H44N4O2/c1-20(2)14-16(22(5,6)26-20)18(28)24-12-10-11-13-25-19(29)17-15-21(3,4)27(9)23(17,7)8/h16-17,26H,10-15H2,1-9H3,(H,24,28)(H,25,29)
InChIKeyYJEPYAHOKSCMJD-UHFFFAOYSA-N
XLogP2.67
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 52.67
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-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide (CID 138724230) is 1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide is CN1C(C)(C)CC(C(=O)NCCCCNC(=O)C2CC(C)(C)NC2(C)C)C1(C)C.
What is the InChIKey of 1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide?
The InChIKey is YJEPYAHOKSCMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O2/c1-20(2)14-16(22(5,6)26-20)18(28)24-12-10-11-13-25-19(29)17-15-21(3,4)27(9)23(17,7)8/h16-17,26H,10-15H2,1-9H3,(H,24,28)(H,25,29).
What are the key properties of 1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide?
1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide has a molecular weight of 408.63 g/mol, XLogP of 2.67, 7 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-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 138724230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).