3-(2-acetamidoethyl)dodecanoate

C16H30NO3- — CID 21259265

IUPAC3-(2-acetamidoethyl)dodecanoate
SMILESCCCCCCCCCC(CCNC(C)=O)CC(=O)[O-]
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-15(13-16(19)20)11-12-17-14(2)18/h15H,3-13H2,1-2H3,(H,17,18)(H,19,20)/p-1
InChIKeyQTSLZRDVSXWOOY-UHFFFAOYSA-M
MW284.42 g/mol
LogP2.41
Rot. Bonds13

About 3-(2-acetamidoethyl)dodecanoate

3-(2-acetamidoethyl)dodecanoate (PubChem CID 21259265) has the molecular formula C16H30NO3- and a molecular weight of 284.42 g/mol. Its IUPAC name is 3-(2-acetamidoethyl)dodecanoate.

Molecular Properties

Compound Name3-(2-acetamidoethyl)dodecanoate
PubChem CID21259265
Molecular FormulaC16H30NO3-
Molecular Weight284.42 g/mol
Exact Mass284.22
IUPAC Name3-(2-acetamidoethyl)dodecanoate
SMILESCCCCCCCCCC(CCNC(C)=O)CC(=O)[O-]
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-15(13-16(19)20)11-12-17-14(2)18/h15H,3-13H2,1-2H3,(H,17,18)(H,19,20)/p-1
InChIKeyQTSLZRDVSXWOOY-UHFFFAOYSA-M
XLogP2.41
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-acetamidopropyl)undecanoic acid
CID 21259482
3-(4-aminobutyl)dodecanoate
CID 21259403
sodium 3-[2-(cyclopentylamino)ethyl]pentadecanoate
CID 23682154
2-(3-acetamidopropyl)dodecanoate
CID 21259260
N-hexylacetamide
CID 24129
N-nonadecylacetamide
CID 54574805
N-pentadecylacetamide
CID 12009452
2-(3-acetamidopropyl)dodecanoic acid
CID 21259261
zinc bis(3-ethylheptanoate)
CID 159696376
3-butylnonanoyl chloride
CID 170901322
3-tetradecyloctadecanoic acid
CID 18954670
magnesium bis(3-propylhexanoate)
CID 88756226

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidoethyl)dodecanoate?
The IUPAC name of 3-(2-acetamidoethyl)dodecanoate (CID 21259265) is 3-(2-acetamidoethyl)dodecanoate.
What is the SMILES notation for 3-(2-acetamidoethyl)dodecanoate?
The canonical SMILES for 3-(2-acetamidoethyl)dodecanoate is CCCCCCCCCC(CCNC(C)=O)CC(=O)[O-].
What is the InChIKey of 3-(2-acetamidoethyl)dodecanoate?
The InChIKey is QTSLZRDVSXWOOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-15(13-16(19)20)11-12-17-14(2)18/h15H,3-13H2,1-2H3,(H,17,18)(H,19,20)/p-1.
What are the key properties of 3-(2-acetamidoethyl)dodecanoate?
3-(2-acetamidoethyl)dodecanoate has a molecular weight of 284.42 g/mol, XLogP of 2.41, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamidoethyl)dodecanoate is sourced from PubChem (CID 21259265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).