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

C21H40N4O2 — CID 138724232

IUPAC1,2,2,5,5-pentamethyl-N-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide
SMILESCN1C(C)(C)CC(C(=O)NCCNC(=O)C2CC(C)(C)NC2(C)C)C1(C)C
InChIInChI=1S/C21H40N4O2/c1-18(2)12-14(20(5,6)24-18)16(26)22-10-11-23-17(27)15-13-19(3,4)25(9)21(15,7)8/h14-15,24H,10-13H2,1-9H3,(H,22,26)(H,23,27)
InChIKeyFURZIEPNIMDBRK-UHFFFAOYSA-N
MW380.58 g/mol
LogP1.89
Rot. Bonds5

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

1,2,2,5,5-pentamethyl-N-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide (PubChem CID 138724232) has the molecular formula C21H40N4O2 and a molecular weight of 380.58 g/mol. Its IUPAC name is 1,2,2,5,5-pentamethyl-N-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1,2,2,5,5-pentamethyl-N-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide
PubChem CID138724232
Molecular FormulaC21H40N4O2
Molecular Weight380.58 g/mol
Exact Mass380.32
IUPAC Name1,2,2,5,5-pentamethyl-N-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide
SMILESCN1C(C)(C)CC(C(=O)NCCNC(=O)C2CC(C)(C)NC2(C)C)C1(C)C
InChIInChI=1S/C21H40N4O2/c1-18(2)12-14(20(5,6)24-18)16(26)22-10-11-23-17(27)15-13-19(3,4)25(9)21(15,7)8/h14-15,24H,10-13H2,1-9H3,(H,22,26)(H,23,27)
InChIKeyFURZIEPNIMDBRK-UHFFFAOYSA-N
XLogP1.89
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 51.89
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-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1,2,2,5,5-pentamethyl-N-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide (CID 138724232) is 1,2,2,5,5-pentamethyl-N-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1,2,2,5,5-pentamethyl-N-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1,2,2,5,5-pentamethyl-N-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide is CN1C(C)(C)CC(C(=O)NCCNC(=O)C2CC(C)(C)NC2(C)C)C1(C)C.
What is the InChIKey of 1,2,2,5,5-pentamethyl-N-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is FURZIEPNIMDBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O2/c1-18(2)12-14(20(5,6)24-18)16(26)22-10-11-23-17(27)15-13-19(3,4)25(9)21(15,7)8/h14-15,24H,10-13H2,1-9H3,(H,22,26)(H,23,27).
What are the key properties of 1,2,2,5,5-pentamethyl-N-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide?
1,2,2,5,5-pentamethyl-N-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 380.58 g/mol, XLogP of 1.89, 5 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-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 138724232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).