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

C20H38N4O4 — CID 19704258

IUPAC1-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NCCNC(=O)C2CC(C)(C)N(O)C2(C)C)C(C)(C)N1O
InChIInChI=1S/C20H38N4O4/c1-17(2)11-13(19(5,6)23(17)27)15(25)21-9-10-22-16(26)14-12-18(3,4)24(28)20(14,7)8/h13-14,27-28H,9-12H2,1-8H3,(H,21,25)(H,22,26)
InChIKeyYLZKLSQXJIRIFX-UHFFFAOYSA-N
MW398.55 g/mol
LogP1.76
Rot. Bonds5

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

1-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide (PubChem CID 19704258) has the molecular formula C20H38N4O4 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
PubChem CID19704258
Molecular FormulaC20H38N4O4
Molecular Weight398.55 g/mol
Exact Mass398.29
IUPAC Name1-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NCCNC(=O)C2CC(C)(C)N(O)C2(C)C)C(C)(C)N1O
InChIInChI=1S/C20H38N4O4/c1-17(2)11-13(19(5,6)23(17)27)15(25)21-9-10-22-16(26)14-12-18(3,4)24(28)20(14,7)8/h13-14,27-28H,9-12H2,1-8H3,(H,21,25)(H,22,26)
InChIKeyYLZKLSQXJIRIFX-UHFFFAOYSA-N
XLogP1.76
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide (CID 19704258) is 1-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide is CC1(C)CC(C(=O)NCCNC(=O)C2CC(C)(C)N(O)C2(C)C)C(C)(C)N1O.
What is the InChIKey of 1-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The InChIKey is YLZKLSQXJIRIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O4/c1-17(2)11-13(19(5,6)23(17)27)15(25)21-9-10-22-16(26)14-12-18(3,4)24(28)20(14,7)8/h13-14,27-28H,9-12H2,1-8H3,(H,21,25)(H,22,26).
What are the key properties of 1-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
1-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 1.76, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 19704258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).