2-(diethylamino)ethyl 4-ethoxybenzoate

C15H23NO3 — CID 7183

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IUPAC2-(diethylamino)ethyl 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCCN(CC)CC)cc1
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)11-12-19-15(17)13-7-9-14(10-8-13)18-6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyOWWVHQUOYSPNNE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.58
Rot. Bonds8

About 2-(diethylamino)ethyl 4-ethoxybenzoate

2-(diethylamino)ethyl 4-ethoxybenzoate (PubChem CID 7183) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-ethoxybenzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-ethoxybenzoate
PubChem CID7183
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(diethylamino)ethyl 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCCN(CC)CC)cc1
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)11-12-19-15(17)13-7-9-14(10-8-13)18-6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyOWWVHQUOYSPNNE-UHFFFAOYSA-N
XLogP2.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Gabexate
CID 3447
Dyclonine
CID 3180
Dyclonine Hydrochloride
CID 68304
Methyl anisate
CID 8499
Ethyl anisate
CID 60979
Ethyl 4-ethoxybenzoate
CID 90232
4-Ethoxybenzoic acid
CID 12093
4-(Octyloxy)benzoic acid
CID 17231
Cyclomethycaine
CID 10839
Propipocaine
CID 70864
Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 8694
Propiophenone, 4'-ethoxy-3-morpholino-, hydrochloride
CID 2849387

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-ethoxybenzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-ethoxybenzoate (CID 7183) is 2-(diethylamino)ethyl 4-ethoxybenzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-ethoxybenzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-ethoxybenzoate is CCOc1ccc(C(=O)OCCN(CC)CC)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 4-ethoxybenzoate?
The InChIKey is OWWVHQUOYSPNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-16(5-2)11-12-19-15(17)13-7-9-14(10-8-13)18-6-3/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 4-ethoxybenzoate?
2-(diethylamino)ethyl 4-ethoxybenzoate has a molecular weight of 265.35 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-ethoxybenzoate is sourced from PubChem (CID 7183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).