N-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide

C13H26N2O2 — CID 126615053

IUPACN-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-6-7-8-14-11(16)10-9-12(2,3)15(17)13(10,4)5/h10,17H,6-9H2,1-5H3,(H,14,16)
InChIKeyZQZMSFMSAUNPOB-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.17
Rot. Bonds4

About N-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide

N-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide (PubChem CID 126615053) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
PubChem CID126615053
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-6-7-8-14-11(16)10-9-12(2,3)15(17)13(10,4)5/h10,17H,6-9H2,1-5H3,(H,14,16)
InChIKeyZQZMSFMSAUNPOB-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide (CID 126615053) is N-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide is CCCCNC(=O)C1CC(C)(C)N(O)C1(C)C.
What is the InChIKey of N-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The InChIKey is ZQZMSFMSAUNPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-7-8-14-11(16)10-9-12(2,3)15(17)13(10,4)5/h10,17H,6-9H2,1-5H3,(H,14,16).
What are the key properties of N-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
N-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 126615053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).