N-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide

C16H31NO2 — CID 10858535

IUPACN-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide
SMILESC=CCCCCCCCCC[C@@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C16H31NO2/c1-4-5-6-7-8-9-10-11-12-13-16(19)14(2)17-15(3)18/h4,14,16,19H,1,5-13H2,2-3H3,(H,17,18)/t14-,16+/m0/s1
InChIKeySDKHVQPJHUWWJI-GOEBONIOSA-N
MW269.43 g/mol
LogP3.57
Rot. Bonds12

About N-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide

N-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide (PubChem CID 10858535) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide
PubChem CID10858535
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide
SMILESC=CCCCCCCCCC[C@@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C16H31NO2/c1-4-5-6-7-8-9-10-11-12-13-16(19)14(2)17-15(3)18/h4,14,16,19H,1,5-13H2,2-3H3,(H,17,18)/t14-,16+/m0/s1
InChIKeySDKHVQPJHUWWJI-GOEBONIOSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.57
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-hydroxytetradec-13-en-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide (CID 10858535) is N-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide is C=CCCCCCCCCC[C@@H](O)[C@H](C)NC(C)=O.
What is the InChIKey of N-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide?
The InChIKey is SDKHVQPJHUWWJI-GOEBONIOSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-5-6-7-8-9-10-11-12-13-16(19)14(2)17-15(3)18/h4,14,16,19H,1,5-13H2,2-3H3,(H,17,18)/t14-,16+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide?
N-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide has a molecular weight of 269.43 g/mol, XLogP of 3.57, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-hydroxytetradec-13-en-2-yl]acetamide is sourced from PubChem (CID 10858535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).