2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride

C19H33ClN2O5 — CID 131884291

IUPAC2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride
SMILESCCN(CC)CCOCCOCCOCCOC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C19H32N2O5.ClH/c1-3-21(4-2)9-10-23-11-12-24-13-14-25-15-16-26-19(22)17-5-7-18(20)8-6-17;/h5-8H,3-4,9-16,20H2,1-2H3;1H
InChIKeyMDJCOUTXEQMTBW-UHFFFAOYSA-N
MW404.94 g/mol
LogP2.24
Rot. Bonds15

About 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride

2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride (PubChem CID 131884291) has the molecular formula C19H33ClN2O5 and a molecular weight of 404.94 g/mol. Its IUPAC name is 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride.

Molecular Properties

Compound Name2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride
PubChem CID131884291
Molecular FormulaC19H33ClN2O5
Molecular Weight404.94 g/mol
Exact Mass404.21
IUPAC Name2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride
SMILESCCN(CC)CCOCCOCCOCCOC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C19H32N2O5.ClH/c1-3-21(4-2)9-10-23-11-12-24-13-14-25-15-16-26-19(22)17-5-7-18(20)8-6-17;/h5-8H,3-4,9-16,20H2,1-2H3;1H
InChIKeyMDJCOUTXEQMTBW-UHFFFAOYSA-N
XLogP2.24
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride
CID 3073386
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride
CID 11756955
2-(diethylamino)ethyl 4-aminobenzoate azide
CID 20841990
2-(diethylamino)ethyl 4-aminobenzoate tetrafluoroborate
CID 138319577
4-(diethylamino)butyl 4-aminobenzoate;hydrochloride
CID 131875080
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
2-(diethylamino)ethyl 4-tert-butylbenzoate;hydrochloride
CID 2929493
2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride
CID 3083884
2-(diethylamino)ethyl 4-[3-[4-[2-(diethylamino)ethoxycarbonyl]phenyl]propyl]benzoate
CID 24835252
2-(diethylamino)ethyl 4-aminobenzoate;2-hydroxybenzoic acid;urea
CID 70631894
[4-[2-(diethylamino)ethoxycarbonyl]phenyl]azanium chloride
CID 43833393

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride?
The IUPAC name of 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride (CID 131884291) is 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride.
What is the SMILES notation for 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride?
The canonical SMILES for 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride is CCN(CC)CCOCCOCCOCCOC(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride?
The InChIKey is MDJCOUTXEQMTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5.ClH/c1-3-21(4-2)9-10-23-11-12-24-13-14-25-15-16-26-19(22)17-5-7-18(20)8-6-17;/h5-8H,3-4,9-16,20H2,1-2H3;1H.
What are the key properties of 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride?
2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride has a molecular weight of 404.94 g/mol, XLogP of 2.24, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride is sourced from PubChem (CID 131884291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).