2-(dimethylamino)ethyl 3,4-dimethoxybenzoate

C13H19NO4 — CID 936334

IUPAC2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCCN(C)C)cc1OC
InChIInChI=1S/C13H19NO4/c1-14(2)7-8-18-13(15)10-5-6-11(16-3)12(9-10)17-4/h5-6,9H,7-8H2,1-4H3
InChIKeyWBQBNIPKJJKMNQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.42
Rot. Bonds6

About 2-(dimethylamino)ethyl 3,4-dimethoxybenzoate

2-(dimethylamino)ethyl 3,4-dimethoxybenzoate (PubChem CID 936334) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
PubChem CID936334
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCCN(C)C)cc1OC
InChIInChI=1S/C13H19NO4/c1-14(2)7-8-18-13(15)10-5-6-11(16-3)12(9-10)17-4/h5-6,9H,7-8H2,1-4H3
InChIKeyWBQBNIPKJJKMNQ-UHFFFAOYSA-N
XLogP1.42
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)ethyl 3,4-dimethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[tert-butyl(methyl)amino]ethyl 3,4-dimethoxybenzoate;hydrochloride
CID 2912784
3-(dimethylamino)propyl 4-ethoxycarbonyloxy-3-methoxybenzoate chloride
CID 53347168
2-(dimethylamino)ethyl 3-methoxy-4-(octylamino)benzoate
CID 54751925
2-(methylamino)ethyl 3,4-dimethoxybenzoate;hydrate;hydrochloride
CID 175234881
methylsulfanylmethyl 3,4-dimethoxybenzoate
CID 70677984
3-[2-(dimethylamino)ethoxy]-4-methoxybenzenecarbothioamide
CID 22685297
propyl 4-ethoxy-3-methoxybenzoate
CID 78907992
4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 74312872
2-[3H-isoindol-1-yl(methyl)amino]ethyl 3,4-dimethoxybenzoate
CID 58727218
2-(dimethylamino)ethyl 2-[4-[6-[2-(dimethylamino)ethoxycarbonyl]-1H-benzimidazol-2-yl]-2,5-dimethoxyphenyl]-3H-benzimidazole-5-carboxylate
CID 138618318
propyl 3-methoxy-4-pentoxybenzoate
CID 82186336
2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 3457414

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3,4-dimethoxybenzoate?
The IUPAC name of 2-(dimethylamino)ethyl 3,4-dimethoxybenzoate (CID 936334) is 2-(dimethylamino)ethyl 3,4-dimethoxybenzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3,4-dimethoxybenzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 3,4-dimethoxybenzoate is COc1ccc(C(=O)OCCN(C)C)cc1OC.
What is the InChIKey of 2-(dimethylamino)ethyl 3,4-dimethoxybenzoate?
The InChIKey is WBQBNIPKJJKMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-14(2)7-8-18-13(15)10-5-6-11(16-3)12(9-10)17-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 3,4-dimethoxybenzoate?
2-(dimethylamino)ethyl 3,4-dimethoxybenzoate has a molecular weight of 253.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3,4-dimethoxybenzoate is sourced from PubChem (CID 936334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).