2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate

C17H27NO6 — CID 174814731

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCCOCCOCCOCCO)cc1
InChIInChI=1S/C17H27NO6/c1-18(2)16-5-3-15(4-6-16)17(20)24-14-13-23-12-11-22-10-9-21-8-7-19/h3-6,19H,7-14H2,1-2H3
InChIKeyKMQGVDJJUUAUJX-UHFFFAOYSA-N
MW341.40 g/mol
LogP0.95
Rot. Bonds13

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate (PubChem CID 174814731) has the molecular formula C17H27NO6 and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate
PubChem CID174814731
Molecular FormulaC17H27NO6
Molecular Weight341.40 g/mol
Exact Mass341.18
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCCOCCOCCOCCO)cc1
InChIInChI=1S/C17H27NO6/c1-18(2)16-5-3-15(4-6-16)17(20)24-14-13-23-12-11-22-10-9-21-8-7-19/h3-6,19H,7-14H2,1-2H3
InChIKeyKMQGVDJJUUAUJX-UHFFFAOYSA-N
XLogP0.95
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate 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

2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
4-O-(2-butoxyethyl) 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
CID 175437580
CID 70858409
CID 70858409
2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate
CID 141413988
2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate
CID 152620766
2-[2-[2-[2-(4-acetylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 4-acetylbenzoate
CID 157029099
2-(ethylamino)ethyl 4-(dimethylamino)benzoate
CID 71098016
2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]ethyl 4-(dimethylamino)benzoate
CID 58027721
2-(2-methoxyethyldisulfanyl)ethyl 4-(dimethylamino)benzoate
CID 155017111
2-(2-hydroxyethoxy)ethyl 4-azidobenzoate
CID 171737111
2-(2-hydroxyethoxy)ethyl 4-amino-3-methylbenzoate
CID 61321259
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate (CID 174814731) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OCCOCCOCCOCCO)cc1.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate?
The InChIKey is KMQGVDJJUUAUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO6/c1-18(2)16-5-3-15(4-6-16)17(20)24-14-13-23-12-11-22-10-9-21-8-7-19/h3-6,19H,7-14H2,1-2H3.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate has a molecular weight of 341.40 g/mol, XLogP of 0.95, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate is sourced from PubChem (CID 174814731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).