2-[1-(diethylamino)ethyl]-4-ethoxybenzoate

C15H22NO3- — CID 23616381

IUPAC2-[1-(diethylamino)ethyl]-4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)[O-])c(C(C)N(CC)CC)c1
InChIInChI=1S/C15H23NO3/c1-5-16(6-2)11(4)14-10-12(19-7-3)8-9-13(14)15(17)18/h8-11H,5-7H2,1-4H3,(H,17,18)/p-1
InChIKeyVVDQTBWTNPFXGP-UHFFFAOYSA-M
MW264.34 g/mol
LogP1.85
Rot. Bonds7

About 2-[1-(diethylamino)ethyl]-4-ethoxybenzoate

2-[1-(diethylamino)ethyl]-4-ethoxybenzoate (PubChem CID 23616381) has the molecular formula C15H22NO3- and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[1-(diethylamino)ethyl]-4-ethoxybenzoate.

Molecular Properties

Compound Name2-[1-(diethylamino)ethyl]-4-ethoxybenzoate
PubChem CID23616381
Molecular FormulaC15H22NO3-
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-[1-(diethylamino)ethyl]-4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)[O-])c(C(C)N(CC)CC)c1
InChIInChI=1S/C15H23NO3/c1-5-16(6-2)11(4)14-10-12(19-7-3)8-9-13(14)15(17)18/h8-11H,5-7H2,1-4H3,(H,17,18)/p-1
InChIKeyVVDQTBWTNPFXGP-UHFFFAOYSA-M
XLogP1.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(dimethylamino)ethyl]-4-ethoxybenzoate
CID 22299754
2,4-diethoxybenzoate
CID 6951194
2-(1-bromoethyl)-4-ethoxybenzoic acid
CID 175301760
disodium;4-(methoxymethoxy)phthalate
CID 131725674
1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one
CID 83154667
2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate
CID 6927748
2,4-diethoxybenzamide
CID 17145726
2-(1-chloro-2-oxopropyl)-4-ethoxybenzoic acid
CID 170837498
2,2-dibromo-1-(2,4-diethoxyphenyl)ethanone
CID 166607863
3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid
CID 62826031
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
4-butoxy-2-fluorobenzoate
CID 7015592

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylamino)ethyl]-4-ethoxybenzoate?
The IUPAC name of 2-[1-(diethylamino)ethyl]-4-ethoxybenzoate (CID 23616381) is 2-[1-(diethylamino)ethyl]-4-ethoxybenzoate.
What is the SMILES notation for 2-[1-(diethylamino)ethyl]-4-ethoxybenzoate?
The canonical SMILES for 2-[1-(diethylamino)ethyl]-4-ethoxybenzoate is CCOc1ccc(C(=O)[O-])c(C(C)N(CC)CC)c1.
What is the InChIKey of 2-[1-(diethylamino)ethyl]-4-ethoxybenzoate?
The InChIKey is VVDQTBWTNPFXGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H23NO3/c1-5-16(6-2)11(4)14-10-12(19-7-3)8-9-13(14)15(17)18/h8-11H,5-7H2,1-4H3,(H,17,18)/p-1.
What are the key properties of 2-[1-(diethylamino)ethyl]-4-ethoxybenzoate?
2-[1-(diethylamino)ethyl]-4-ethoxybenzoate has a molecular weight of 264.34 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylamino)ethyl]-4-ethoxybenzoate is sourced from PubChem (CID 23616381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).