2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol

C23H49NO4 — CID 87327457

IUPAC2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol
SMILESCCCCCCCCCCCCCCCCCCCN(OCCO)OCCO
InChIInChI=1S/C23H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27-22-20-25)28-23-21-26/h25-26H,2-23H2,1H3
InChIKeyISQMUEROEHVAFE-UHFFFAOYSA-N
MW403.65 g/mol
LogP5.79
Rot. Bonds24

About 2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol

2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol (PubChem CID 87327457) has the molecular formula C23H49NO4 and a molecular weight of 403.65 g/mol. Its IUPAC name is 2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol.

Molecular Properties

Compound Name2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol
PubChem CID87327457
Molecular FormulaC23H49NO4
Molecular Weight403.65 g/mol
Exact Mass403.37
IUPAC Name2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol
SMILESCCCCCCCCCCCCCCCCCCCN(OCCO)OCCO
InChIInChI=1S/C23H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27-22-20-25)28-23-21-26/h25-26H,2-23H2,1H3
InChIKeyISQMUEROEHVAFE-UHFFFAOYSA-N
XLogP5.79
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[heptadecyl(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid
CID 174704040
2-[2-hydroxyethoxy(pentadecyl)amino]oxyethanol;octadecanoic acid
CID 90146048
2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid
CID 173031616
tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid
CID 173155044
3-amino-3-heptadecylpentane-1,5-diol;2-[butyl(2-hydroxyethoxy)amino]oxyethanol
CID 174172810
N,N-didecoxybutan-1-amine
CID 57054979
4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol
CID 87183048
2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid
CID 173031633
2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;3-(2-ethylhexoxymethyl)heptane;phosphoric acid
CID 174996961
2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate
CID 174994813
2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol
CID 87919483
3-[4-hydroxybutan-2-yloxy(octadecyl)amino]oxybutan-1-ol
CID 22987683

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol?
The IUPAC name of 2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol (CID 87327457) is 2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol.
What is the SMILES notation for 2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol?
The canonical SMILES for 2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol is CCCCCCCCCCCCCCCCCCCN(OCCO)OCCO.
What is the InChIKey of 2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol?
The InChIKey is ISQMUEROEHVAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27-22-20-25)28-23-21-26/h25-26H,2-23H2,1H3.
What are the key properties of 2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol?
2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol has a molecular weight of 403.65 g/mol, XLogP of 5.79, 24 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol is sourced from PubChem (CID 87327457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).