N-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide

C14H27NO2 — CID 46905981

IUPACN-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide
SMILESCCC/C=C\CCCC[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/h6-7,12,14,17H,4-5,8-11H2,1-3H3,(H,15,16)/b7-6-/t12-,14+/m1/s1
InChIKeyYNBJXCBPPYCLMH-XBWLEZLWSA-N
MW241.37 g/mol
LogP2.79
Rot. Bonds9

About N-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide

N-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide (PubChem CID 46905981) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide
PubChem CID46905981
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide
SMILESCCC/C=C\CCCC[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/h6-7,12,14,17H,4-5,8-11H2,1-3H3,(H,15,16)/b7-6-/t12-,14+/m1/s1
InChIKeyYNBJXCBPPYCLMH-XBWLEZLWSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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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Related Compounds

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Ricinoleamide MEA
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CID 6442401
N-(15Z-tetracosenoyl)-sphinganine
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N-(9Z-octadecenoyl)-sphinganine
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Ceramide 4
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Cer(d18:0/26:1(17Z))
CID 5283578
Cer(d18:0/18:1(11Z))
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D-erythro-Sphingosine, N-Acetyl
CID 6604750
N-((1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl)acetamide
CID 12302745
(2S,3R,4E)-2-(Acetylamino)-4-octadecene-1,3-diol
CID 10427441
9-Octadecenamide, 12-hydroxy-N-(2-hydroxy-1-methylethyl)-
CID 76541648

Frequently Asked Questions

What is the IUPAC name of N-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide?
The IUPAC name of N-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide (CID 46905981) is N-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide?
The canonical SMILES for N-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide is CCC/C=C\CCCC[C@H](O)[C@@H](C)NC(C)=O.
What is the InChIKey of N-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide?
The InChIKey is YNBJXCBPPYCLMH-XBWLEZLWSA-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/h6-7,12,14,17H,4-5,8-11H2,1-3H3,(H,15,16)/b7-6-/t12-,14+/m1/s1.
What are the key properties of N-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide?
N-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide has a molecular weight of 241.37 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2R,3S)-3-hydroxydodec-8-en-2-yl]acetamide is sourced from PubChem (CID 46905981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).