2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride

C19H33ClN2O4 — CID 3083884

IUPAC2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride
SMILESCCCCOc1ccc(C(=O)OCCOCCN(CC)CC)cc1N.Cl
InChIInChI=1S/C19H32N2O4.ClH/c1-4-7-11-24-18-9-8-16(15-17(18)20)19(22)25-14-13-23-12-10-21(5-2)6-3;/h8-9,15H,4-7,10-14,20H2,1-3H3;1H
InChIKeyLHWHZGUJAWCAIQ-UHFFFAOYSA-N
MW388.94 g/mol
LogP3.38
Rot. Bonds13

About 2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride

2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride (PubChem CID 3083884) has the molecular formula C19H33ClN2O4 and a molecular weight of 388.94 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride
PubChem CID3083884
Molecular FormulaC19H33ClN2O4
Molecular Weight388.94 g/mol
Exact Mass388.21
IUPAC Name2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride
SMILESCCCCOc1ccc(C(=O)OCCOCCN(CC)CC)cc1N.Cl
InChIInChI=1S/C19H32N2O4.ClH/c1-4-7-11-24-18-9-8-16(15-17(18)20)19(22)25-14-13-23-12-10-21(5-2)6-3;/h8-9,15H,4-7,10-14,20H2,1-3H3;1H
InChIKeyLHWHZGUJAWCAIQ-UHFFFAOYSA-N
XLogP3.38
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-amino-4-propoxybenzoate;trihydrochloride
CID 67947052
2-(diethylamino)ethyl 4-butoxy-3-ethoxybenzoate
CID 23423702
2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride
CID 131884291
3-amino-4-(2-butoxyethoxy)benzoic acid
CID 54888103
2-butoxyethyl 4-amino-3-methoxybenzoate
CID 104783923
3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide
CID 82989969
3-amino-4-butoxybenzamide
CID 43448596
2-butoxyethyl 3-amino-4-fluorobenzoate
CID 61304263
ethyl 3-amino-4-(2-ethoxyethoxy)benzoate
CID 61306324
2-(diethylamino)ethyl 3,4-diethoxybenzoate
CID 23423700
methyl 3-amino-4-propoxybenzoate
CID 43380309
3-(dimethylamino)propyl 3-amino-4-ethoxybenzoate
CID 114526416

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride?
The IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride (CID 3083884) is 2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride is CCCCOc1ccc(C(=O)OCCOCCN(CC)CC)cc1N.Cl.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride?
The InChIKey is LHWHZGUJAWCAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4.ClH/c1-4-7-11-24-18-9-8-16(15-17(18)20)19(22)25-14-13-23-12-10-21(5-2)6-3;/h8-9,15H,4-7,10-14,20H2,1-3H3;1H.
What are the key properties of 2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride?
2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 3.38, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride is sourced from PubChem (CID 3083884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).