N-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide

C14H27NO2 — CID 11064558

IUPACN-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide
SMILESC=CCCCCCCC[C@@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C14H27NO2/c1-4-5-6-7-8-9-10-11-14(17)12(2)15-13(3)16/h4,12,14,17H,1,5-11H2,2-3H3,(H,15,16)/t12-,14+/m0/s1
InChIKeyPHOGIHBSYNXRHY-GXTWGEPZSA-N
MW241.37 g/mol
LogP2.79
Rot. Bonds10

About N-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide

N-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide (PubChem CID 11064558) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide
PubChem CID11064558
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide
SMILESC=CCCCCCCC[C@@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C14H27NO2/c1-4-5-6-7-8-9-10-11-14(17)12(2)15-13(3)16/h4,12,14,17H,1,5-11H2,2-3H3,(H,15,16)/t12-,14+/m0/s1
InChIKeyPHOGIHBSYNXRHY-GXTWGEPZSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide (CID 11064558) is N-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide is C=CCCCCCCC[C@@H](O)[C@H](C)NC(C)=O.
What is the InChIKey of N-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide?
The InChIKey is PHOGIHBSYNXRHY-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-5-6-7-8-9-10-11-14(17)12(2)15-13(3)16/h4,12,14,17H,1,5-11H2,2-3H3,(H,15,16)/t12-,14+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide?
N-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide has a molecular weight of 241.37 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide is sourced from PubChem (CID 11064558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).