2-[2-(hexadecanoylamino)ethoxy]acetic acid

C20H39NO4 — CID 3017701

IUPAC2-[2-(hexadecanoylamino)ethoxy]acetic acid
SMILESCCCCCCCCCCCCCCCC(=O)NCCOCC(=O)O
InChIInChI=1S/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-16-17-25-18-20(23)24/h2-18H2,1H3,(H,21,22)(H,23,24)
InChIKeyPQTYIEUPYGPQHF-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.69
Rot. Bonds19

About 2-[2-(hexadecanoylamino)ethoxy]acetic acid

2-[2-(hexadecanoylamino)ethoxy]acetic acid (PubChem CID 3017701) has the molecular formula C20H39NO4 and a molecular weight of 357.54 g/mol. Its IUPAC name is 2-[2-(hexadecanoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(hexadecanoylamino)ethoxy]acetic acid
PubChem CID3017701
Molecular FormulaC20H39NO4
Molecular Weight357.54 g/mol
Exact Mass357.29
IUPAC Name2-[2-(hexadecanoylamino)ethoxy]acetic acid
SMILESCCCCCCCCCCCCCCCC(=O)NCCOCC(=O)O
InChIInChI=1S/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-16-17-25-18-20(23)24/h2-18H2,1H3,(H,21,22)(H,23,24)
InChIKeyPQTYIEUPYGPQHF-UHFFFAOYSA-N
XLogP4.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(decanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]acetic acid
CID 175751113
2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid
CID 87275453
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid
CID 76965788
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762
16-oxo-16-(2-propoxyethylamino)hexadecanoic acid
CID 122592174
2-[2-(5-aminopentanoylamino)ethoxy]acetic acid
CID 79457859
2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid
CID 135346649
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
2-[2-(pentylcarbamoylamino)ethoxy]acetic acid
CID 79463025
N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide
CID 166959227

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hexadecanoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(hexadecanoylamino)ethoxy]acetic acid (CID 3017701) is 2-[2-(hexadecanoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(hexadecanoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(hexadecanoylamino)ethoxy]acetic acid is CCCCCCCCCCCCCCCC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-(hexadecanoylamino)ethoxy]acetic acid?
The InChIKey is PQTYIEUPYGPQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-16-17-25-18-20(23)24/h2-18H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[2-(hexadecanoylamino)ethoxy]acetic acid?
2-[2-(hexadecanoylamino)ethoxy]acetic acid has a molecular weight of 357.54 g/mol, XLogP of 4.69, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hexadecanoylamino)ethoxy]acetic acid is sourced from PubChem (CID 3017701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).