2-(diethylamino)ethyl 3,4-diethoxybenzoate

C17H27NO4 — CID 23423700

IUPAC2-(diethylamino)ethyl 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCCN(CC)CC)cc1OCC
InChIInChI=1S/C17H27NO4/c1-5-18(6-2)11-12-22-17(19)14-9-10-15(20-7-3)16(13-14)21-8-4/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyQYBQOMBDVVZPGW-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.98
Rot. Bonds10

About 2-(diethylamino)ethyl 3,4-diethoxybenzoate

2-(diethylamino)ethyl 3,4-diethoxybenzoate (PubChem CID 23423700) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3,4-diethoxybenzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3,4-diethoxybenzoate
PubChem CID23423700
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name2-(diethylamino)ethyl 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCCN(CC)CC)cc1OCC
InChIInChI=1S/C17H27NO4/c1-5-18(6-2)11-12-22-17(19)14-9-10-15(20-7-3)16(13-14)21-8-4/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyQYBQOMBDVVZPGW-UHFFFAOYSA-N
XLogP2.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)ethyl 4-butoxy-3-ethoxybenzoate
CID 23423702
ethyl 3,4-diethoxybenzoate
CID 586407
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate;trihydrochloride
CID 67947052
2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride
CID 2853546
propyl 4-ethoxy-3-methoxybenzoate
CID 78907992
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
2-(diethylamino)ethyl 4-aminobenzoate azide
CID 20841990
2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
CID 20292
[4-[2-(diethylamino)ethoxycarbonyl]phenyl]azanium chloride
CID 43833393
2-methylpropyl 3,4-diethoxybenzoate
CID 82186382
2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride
CID 2864468
3-(dimethylamino)propyl 3-amino-4-ethoxybenzoate
CID 114526416

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3,4-diethoxybenzoate?
The IUPAC name of 2-(diethylamino)ethyl 3,4-diethoxybenzoate (CID 23423700) is 2-(diethylamino)ethyl 3,4-diethoxybenzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 3,4-diethoxybenzoate?
The canonical SMILES for 2-(diethylamino)ethyl 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCCN(CC)CC)cc1OCC.
What is the InChIKey of 2-(diethylamino)ethyl 3,4-diethoxybenzoate?
The InChIKey is QYBQOMBDVVZPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-5-18(6-2)11-12-22-17(19)14-9-10-15(20-7-3)16(13-14)21-8-4/h9-10,13H,5-8,11-12H2,1-4H3.
What are the key properties of 2-(diethylamino)ethyl 3,4-diethoxybenzoate?
2-(diethylamino)ethyl 3,4-diethoxybenzoate has a molecular weight of 309.41 g/mol, XLogP of 2.98, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3,4-diethoxybenzoate is sourced from PubChem (CID 23423700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).