1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide

C27H52N4O2 — CID 138724234

IUPAC1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide
SMILESCN1C(C)(C)CC(C(=O)NCCCCCCCCNC(=O)C2CC(C)(C)NC2(C)C)C1(C)C
InChIInChI=1S/C27H52N4O2/c1-24(2)18-20(26(5,6)30-24)22(32)28-16-14-12-10-11-13-15-17-29-23(33)21-19-25(3,4)31(9)27(21,7)8/h20-21,30H,10-19H2,1-9H3,(H,28,32)(H,29,33)
InChIKeyLOSPCWHLMZNABT-UHFFFAOYSA-N
MW464.74 g/mol
LogP4.24
Rot. Bonds11

About 1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide

1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide (PubChem CID 138724234) has the molecular formula C27H52N4O2 and a molecular weight of 464.74 g/mol. Its IUPAC name is 1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide
PubChem CID138724234
Molecular FormulaC27H52N4O2
Molecular Weight464.74 g/mol
Exact Mass464.41
IUPAC Name1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide
SMILESCN1C(C)(C)CC(C(=O)NCCCCCCCCNC(=O)C2CC(C)(C)NC2(C)C)C1(C)C
InChIInChI=1S/C27H52N4O2/c1-24(2)18-20(26(5,6)30-24)22(32)28-16-14-12-10-11-13-15-17-29-23(33)21-19-25(3,4)31(9)27(21,7)8/h20-21,30H,10-19H2,1-9H3,(H,28,32)(H,29,33)
InChIKeyLOSPCWHLMZNABT-UHFFFAOYSA-N
XLogP4.24
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.74
LogP ≤ 54.24
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-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide (CID 138724234) is 1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide is CN1C(C)(C)CC(C(=O)NCCCCCCCCNC(=O)C2CC(C)(C)NC2(C)C)C1(C)C.
What is the InChIKey of 1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide?
The InChIKey is LOSPCWHLMZNABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52N4O2/c1-24(2)18-20(26(5,6)30-24)22(32)28-16-14-12-10-11-13-15-17-29-23(33)21-19-25(3,4)31(9)27(21,7)8/h20-21,30H,10-19H2,1-9H3,(H,28,32)(H,29,33).
What are the key properties of 1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide?
1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide has a molecular weight of 464.74 g/mol, XLogP of 4.24, 11 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-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 138724234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).