N-[(2S)-2-hydroxyundecyl]acetamide

C13H27NO2 — CID 163002810

IUPACN-[(2S)-2-hydroxyundecyl]acetamide
SMILESCCCCCCCCC[C@H](O)CNC(C)=O
InChIInChI=1S/C13H27NO2/c1-3-4-5-6-7-8-9-10-13(16)11-14-12(2)15/h13,16H,3-11H2,1-2H3,(H,14,15)/t13-/m0/s1
InChIKeyXAXBRBPUKYGRTP-ZDUSSCGKSA-N
MW229.36 g/mol
LogP2.62
Rot. Bonds10

About N-[(2S)-2-hydroxyundecyl]acetamide

N-[(2S)-2-hydroxyundecyl]acetamide (PubChem CID 163002810) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[(2S)-2-hydroxyundecyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxyundecyl]acetamide
PubChem CID163002810
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[(2S)-2-hydroxyundecyl]acetamide
SMILESCCCCCCCCC[C@H](O)CNC(C)=O
InChIInChI=1S/C13H27NO2/c1-3-4-5-6-7-8-9-10-13(16)11-14-12(2)15/h13,16H,3-11H2,1-2H3,(H,14,15)/t13-/m0/s1
InChIKeyXAXBRBPUKYGRTP-ZDUSSCGKSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2S)-2-hydroxyundecyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxyundecyl]acetamide?
The IUPAC name of N-[(2S)-2-hydroxyundecyl]acetamide (CID 163002810) is N-[(2S)-2-hydroxyundecyl]acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxyundecyl]acetamide?
The canonical SMILES for N-[(2S)-2-hydroxyundecyl]acetamide is CCCCCCCCC[C@H](O)CNC(C)=O.
What is the InChIKey of N-[(2S)-2-hydroxyundecyl]acetamide?
The InChIKey is XAXBRBPUKYGRTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-4-5-6-7-8-9-10-13(16)11-14-12(2)15/h13,16H,3-11H2,1-2H3,(H,14,15)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxyundecyl]acetamide?
N-[(2S)-2-hydroxyundecyl]acetamide has a molecular weight of 229.36 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxyundecyl]acetamide is sourced from PubChem (CID 163002810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).