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

C24H46N2O6 — CID 87275453

IUPAC2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid
SMILESCCCCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCC(=O)O
InChIInChI=1S/C24H46N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(27)25-16-17-31-18-19-32-21-23(28)26-20-24(29)30/h2-21H2,1H3,(H,25,27)(H,26,28)(H,29,30)
InChIKeyVMHZAWLCAHUGKU-UHFFFAOYSA-N
MW458.64 g/mol
LogP3.82
Rot. Bonds24

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

2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid (PubChem CID 87275453) has the molecular formula C24H46N2O6 and a molecular weight of 458.64 g/mol. Its IUPAC name is 2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid
PubChem CID87275453
Molecular FormulaC24H46N2O6
Molecular Weight458.64 g/mol
Exact Mass458.34
IUPAC Name2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid
SMILESCCCCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCC(=O)O
InChIInChI=1S/C24H46N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(27)25-16-17-31-18-19-32-21-23(28)26-20-24(29)30/h2-21H2,1H3,(H,25,27)(H,26,28)(H,29,30)
InChIKeyVMHZAWLCAHUGKU-UHFFFAOYSA-N
XLogP3.82
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.64
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762
2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701
N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide
CID 166959227
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
18-[4-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]butylamino]-18-oxooctadecanoic acid
CID 123545676
2-[4-(octanoylamino)butanoylamino]acetic acid
CID 170428184
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid
CID 123723639
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid (CID 87275453) is 2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid is CCCCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid?
The InChIKey is VMHZAWLCAHUGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(27)25-16-17-31-18-19-32-21-23(28)26-20-24(29)30/h2-21H2,1H3,(H,25,27)(H,26,28)(H,29,30).
What are the key properties of 2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid?
2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid has a molecular weight of 458.64 g/mol, XLogP of 3.82, 24 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid is sourced from PubChem (CID 87275453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).