4-hydroxy-N-octylpyrrolidine-2-carboxamide

C13H26N2O2 — CID 113337253

IUPAC4-hydroxy-N-octylpyrrolidine-2-carboxamide
SMILESCCCCCCCCNC(=O)C1CC(O)CN1
InChIInChI=1S/C13H26N2O2/c1-2-3-4-5-6-7-8-14-13(17)12-9-11(16)10-15-12/h11-12,15-16H,2-10H2,1H3,(H,14,17)
InChIKeyGLBOCCNHFNQBKE-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.19
Rot. Bonds8

About 4-hydroxy-N-octylpyrrolidine-2-carboxamide

4-hydroxy-N-octylpyrrolidine-2-carboxamide (PubChem CID 113337253) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-hydroxy-N-octylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-octylpyrrolidine-2-carboxamide
PubChem CID113337253
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-hydroxy-N-octylpyrrolidine-2-carboxamide
SMILESCCCCCCCCNC(=O)C1CC(O)CN1
InChIInChI=1S/C13H26N2O2/c1-2-3-4-5-6-7-8-14-13(17)12-9-11(16)10-15-12/h11-12,15-16H,2-10H2,1H3,(H,14,17)
InChIKeyGLBOCCNHFNQBKE-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide
CID 61275212
N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119852549
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943524
(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide
CID 79401002
4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide
CID 119811886
4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852622
N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459721
octan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64714614
4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119747946

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-octylpyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-octylpyrrolidine-2-carboxamide (CID 113337253) is 4-hydroxy-N-octylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-octylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-octylpyrrolidine-2-carboxamide is CCCCCCCCNC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-octylpyrrolidine-2-carboxamide?
The InChIKey is GLBOCCNHFNQBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-3-4-5-6-7-8-14-13(17)12-9-11(16)10-15-12/h11-12,15-16H,2-10H2,1H3,(H,14,17).
What are the key properties of 4-hydroxy-N-octylpyrrolidine-2-carboxamide?
4-hydroxy-N-octylpyrrolidine-2-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-octylpyrrolidine-2-carboxamide is sourced from PubChem (CID 113337253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).