2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide

C28H60N2O7 — CID 166636671

IUPAC2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCCOCCO.CCCCCCCCCC(=O)O.NCCOCCO
InChIInChI=1S/C14H29NO3.C10H20O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-14(17)15-10-12-18-13-11-16;1-2-3-4-5-6-7-8-9-10(11)12;5-1-3-7-4-2-6/h16H,2-13H2,1H3,(H,15,17);2-9H2,1H3,(H,11,12);6H,1-5H2
InChIKeyMGXAWCIGJXHKNZ-UHFFFAOYSA-N
MW536.80 g/mol
LogP4.42
Rot. Bonds25

About 2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide

2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide (PubChem CID 166636671) has the molecular formula C28H60N2O7 and a molecular weight of 536.80 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide
PubChem CID166636671
Molecular FormulaC28H60N2O7
Molecular Weight536.80 g/mol
Exact Mass536.44
IUPAC Name2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCCOCCO.CCCCCCCCCC(=O)O.NCCOCCO
InChIInChI=1S/C14H29NO3.C10H20O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-14(17)15-10-12-18-13-11-16;1-2-3-4-5-6-7-8-9-10(11)12;5-1-3-7-4-2-6/h16H,2-13H2,1H3,(H,15,17);2-9H2,1H3,(H,11,12);6H,1-5H2
InChIKeyMGXAWCIGJXHKNZ-UHFFFAOYSA-N
XLogP4.42
TPSA151.34 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.80
LogP ≤ 54.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810
16-oxo-16-(2-propoxyethylamino)hexadecanoic acid
CID 122592174
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-9-hydroxynonanamide
CID 155740106
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
(Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide
CID 102485842
heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
N,N'-bis(3-dodecoxypropyl)decanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]dodecanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]tridecanediamide;N,N'-bis(3-methoxypropyl)decanediamide;N,N'-bis(3-methoxypropyl)dodecanediamide;N,N'-bis(3-methoxypropyl)icosanediamide
CID 161275900
2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide?
The IUPAC name of 2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide (CID 166636671) is 2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide.
What is the SMILES notation for 2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide?
The canonical SMILES for 2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide is CCCCCCCCCC(=O)NCCOCCO.CCCCCCCCCC(=O)O.NCCOCCO.
What is the InChIKey of 2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide?
The InChIKey is MGXAWCIGJXHKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3.C10H20O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-14(17)15-10-12-18-13-11-16;1-2-3-4-5-6-7-8-9-10(11)12;5-1-3-7-4-2-6/h16H,2-13H2,1H3,(H,15,17);2-9H2,1H3,(H,11,12);6H,1-5H2.
What are the key properties of 2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide?
2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide has a molecular weight of 536.80 g/mol, XLogP of 4.42, 25 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide is sourced from PubChem (CID 166636671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).