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

C20H35N3O3 — CID 3042037

IUPAC2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate
SMILESCCN(CC)CCOC(=O)c1ccccc1NCC(O)CN(CC)CC
InChIInChI=1S/C20H35N3O3/c1-5-22(6-2)13-14-26-20(25)18-11-9-10-12-19(18)21-15-17(24)16-23(7-3)8-4/h9-12,17,21,24H,5-8,13-16H2,1-4H3
InChIKeyRNRLWSGSAJFETL-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.30
Rot. Bonds13

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

2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate (PubChem CID 3042037) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate
PubChem CID3042037
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate
SMILESCCN(CC)CCOC(=O)c1ccccc1NCC(O)CN(CC)CC
InChIInChI=1S/C20H35N3O3/c1-5-22(6-2)13-14-26-20(25)18-11-9-10-12-19(18)21-15-17(24)16-23(7-3)8-4/h9-12,17,21,24H,5-8,13-16H2,1-4H3
InChIKeyRNRLWSGSAJFETL-UHFFFAOYSA-N
XLogP2.30
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(diethylamino)ethyl 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 2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate?
The IUPAC name of 2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate (CID 3042037) is 2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate is CCN(CC)CCOC(=O)c1ccccc1NCC(O)CN(CC)CC.
What is the InChIKey of 2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate?
The InChIKey is RNRLWSGSAJFETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-5-22(6-2)13-14-26-20(25)18-11-9-10-12-19(18)21-15-17(24)16-23(7-3)8-4/h9-12,17,21,24H,5-8,13-16H2,1-4H3.
What are the key properties of 2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate?
2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate has a molecular weight of 365.52 g/mol, XLogP of 2.30, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate is sourced from PubChem (CID 3042037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).