(2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium

C20H42NO5+ — CID 100972951

IUPAC(2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium
SMILESCCCCCCCCCCCCOC(=O)C[N+](CCO)(CCO)CCO
InChIInChI=1S/C20H42NO5/c1-2-3-4-5-6-7-8-9-10-11-18-26-20(25)19-21(12-15-22,13-16-23)14-17-24/h22-24H,2-19H2,1H3/q+1
InChIKeyIEUVZNJNTPTPPQ-UHFFFAOYSA-N
MW376.56 g/mol
LogP2.24
Rot. Bonds19

About (2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium

(2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium (PubChem CID 100972951) has the molecular formula C20H42NO5+ and a molecular weight of 376.56 g/mol. Its IUPAC name is (2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name(2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium
PubChem CID100972951
Molecular FormulaC20H42NO5+
Molecular Weight376.56 g/mol
Exact Mass376.31
IUPAC Name(2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium
SMILESCCCCCCCCCCCCOC(=O)C[N+](CCO)(CCO)CCO
InChIInChI=1S/C20H42NO5/c1-2-3-4-5-6-7-8-9-10-11-18-26-20(25)19-21(12-15-22,13-16-23)14-17-24/h22-24H,2-19H2,1H3/q+1
InChIKeyIEUVZNJNTPTPPQ-UHFFFAOYSA-N
XLogP2.24
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.56
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl-(2-dodecoxy-2-oxoethyl)azanium
CID 3654865
(2-decoxy-2-oxoethyl)-triethylazanium
CID 3090772
(2-decoxy-2-oxoethyl)-triethylazanium chloride
CID 12573194
hexacosyl 2-hydroxyacetate
CID 156789960
CID 87119570
CID 87119570
2-hydroxyethyl-methyl-bis(3-oxo-3-tetradecoxypropyl)azanium
CID 102127020
(2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium
CID 175686184
(2-dodecoxy-2-oxoethyl)-[6-[(2-dodecoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium chloride
CID 156594940
sodium;hydride;tetradecyl 2-hydroxyacetate
CID 174584352
nonyl 3-hydroxypropanoate
CID 139821975
(2-decoxy-2-oxoethyl)-[2-[2-[(2-decoxy-2-oxoethyl)-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium
CID 5237040
hexadecyl 4-hydroxybutanoate
CID 14997818

Frequently Asked Questions

What is the IUPAC name of (2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium?
The IUPAC name of (2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium (CID 100972951) is (2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium.
What is the SMILES notation for (2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium?
The canonical SMILES for (2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium is CCCCCCCCCCCCOC(=O)C[N+](CCO)(CCO)CCO.
What is the InChIKey of (2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium?
The InChIKey is IEUVZNJNTPTPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42NO5/c1-2-3-4-5-6-7-8-9-10-11-18-26-20(25)19-21(12-15-22,13-16-23)14-17-24/h22-24H,2-19H2,1H3/q+1.
What are the key properties of (2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium?
(2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium has a molecular weight of 376.56 g/mol, XLogP of 2.24, 19 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium is sourced from PubChem (CID 100972951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).