methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate

C15H24N2O3 — CID 3043149

IUPACmethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate
SMILESCCN(CC)CC(O)CNc1ccccc1C(=O)OC
InChIInChI=1S/C15H24N2O3/c1-4-17(5-2)11-12(18)10-16-14-9-7-6-8-13(14)15(19)20-3/h6-9,12,16,18H,4-5,10-11H2,1-3H3
InChIKeyAVKOKESRFWJEQH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.59
Rot. Bonds8

About methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate

methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate (PubChem CID 3043149) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate
PubChem CID3043149
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate
SMILESCCN(CC)CC(O)CNc1ccccc1C(=O)OC
InChIInChI=1S/C15H24N2O3/c1-4-17(5-2)11-12(18)10-16-14-9-7-6-8-13(14)15(19)20-3/h6-9,12,16,18H,4-5,10-11H2,1-3H3
InChIKeyAVKOKESRFWJEQH-UHFFFAOYSA-N
XLogP1.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate (CID 3043149) is methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate is CCN(CC)CC(O)CNc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate?
The InChIKey is AVKOKESRFWJEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-17(5-2)11-12(18)10-16-14-9-7-6-8-13(14)15(19)20-3/h6-9,12,16,18H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate?
methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate has a molecular weight of 280.37 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate is sourced from PubChem (CID 3043149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).