2-hydroxy-1-pyrrolidin-1-yldocosan-1-one

C26H51NO2 — CID 91713399

IUPAC2-hydroxy-1-pyrrolidin-1-yldocosan-1-one
SMILESCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N1CCCC1
InChIInChI=1S/C26H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(28)26(29)27-23-20-21-24-27/h25,28H,2-24H2,1H3
InChIKeyAATNJXVHOHDSQW-UHFFFAOYSA-N
MW409.70 g/mol
LogP7.40
Rot. Bonds20

About 2-hydroxy-1-pyrrolidin-1-yldocosan-1-one

2-hydroxy-1-pyrrolidin-1-yldocosan-1-one (PubChem CID 91713399) has the molecular formula C26H51NO2 and a molecular weight of 409.70 g/mol. Its IUPAC name is 2-hydroxy-1-pyrrolidin-1-yldocosan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-pyrrolidin-1-yldocosan-1-one
PubChem CID91713399
Molecular FormulaC26H51NO2
Molecular Weight409.70 g/mol
Exact Mass409.39
IUPAC Name2-hydroxy-1-pyrrolidin-1-yldocosan-1-one
SMILESCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N1CCCC1
InChIInChI=1S/C26H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(28)26(29)27-23-20-21-24-27/h25,28H,2-24H2,1H3
InChIKeyAATNJXVHOHDSQW-UHFFFAOYSA-N
XLogP7.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxy-1-pyrrolidin-1-yldocosan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-Dibutyl-12-hydroxyoctadecan-1-amide
CID 85969
(2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide
CID 11440892
Hydroxycetyl hydroxyethylstearamide
CID 19982433
N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide
CID 139986258
3-Hydroxy-decanoic acid, pyrrolidide
CID 91717714
N-(2-hydroxypalmitoyl)succinimide
CID 129646916
N-hexadecyl-2-hydroxyhexadecanamide
CID 129725909
N-hexyl-2-hydroxyhexadecanamide
CID 129725913
1-octanol-N,N-dimethylformamide
CID 129864964
N,N'-dioctyl-alpha-hydroxy acetamide
CID 132993166
18-Oxo-18-(1-pyrrolidinyl)-7-octadecanol
CID 539064
1-Oxo-1-(1-pyrrolidinyl)-6-octadecanol
CID 574652

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-pyrrolidin-1-yldocosan-1-one?
The IUPAC name of 2-hydroxy-1-pyrrolidin-1-yldocosan-1-one (CID 91713399) is 2-hydroxy-1-pyrrolidin-1-yldocosan-1-one.
What is the SMILES notation for 2-hydroxy-1-pyrrolidin-1-yldocosan-1-one?
The canonical SMILES for 2-hydroxy-1-pyrrolidin-1-yldocosan-1-one is CCCCCCCCCCCCCCCCCCCCC(O)C(=O)N1CCCC1.
What is the InChIKey of 2-hydroxy-1-pyrrolidin-1-yldocosan-1-one?
The InChIKey is AATNJXVHOHDSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(28)26(29)27-23-20-21-24-27/h25,28H,2-24H2,1H3.
What are the key properties of 2-hydroxy-1-pyrrolidin-1-yldocosan-1-one?
2-hydroxy-1-pyrrolidin-1-yldocosan-1-one has a molecular weight of 409.70 g/mol, XLogP of 7.40, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-pyrrolidin-1-yldocosan-1-one is sourced from PubChem (CID 91713399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).