2-[3-(diethylamino)propyl-ethylamino]benzoic acid

C16H26N2O2 — CID 102994009

IUPAC2-[3-(diethylamino)propyl-ethylamino]benzoic acid
SMILESCCN(CC)CCCN(CC)c1ccccc1C(=O)O
InChIInChI=1S/C16H26N2O2/c1-4-17(5-2)12-9-13-18(6-3)15-11-8-7-10-14(15)16(19)20/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,19,20)
InChIKeyUKOFZKZCYCNNBN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.94
Rot. Bonds9

About 2-[3-(diethylamino)propyl-ethylamino]benzoic acid

2-[3-(diethylamino)propyl-ethylamino]benzoic acid (PubChem CID 102994009) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl-ethylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl-ethylamino]benzoic acid
PubChem CID102994009
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[3-(diethylamino)propyl-ethylamino]benzoic acid
SMILESCCN(CC)CCCN(CC)c1ccccc1C(=O)O
InChIInChI=1S/C16H26N2O2/c1-4-17(5-2)12-9-13-18(6-3)15-11-8-7-10-14(15)16(19)20/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,19,20)
InChIKeyUKOFZKZCYCNNBN-UHFFFAOYSA-N
XLogP2.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(diethylamino)propyl-ethylamino]benzoic acid 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-[butyl-[2-(N-butyl-2-carboxyanilino)ethyl]amino]benzoic acid
CID 13212636
2-[2-cyanoethyl(ethyl)amino]benzoic acid
CID 55125536
3-amino-2-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102995981
2-[2-(diethylamino)benzoyl]benzoic acid
CID 151183453
4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid
CID 102994015
2-[2-(dibutylamino)benzoyl]benzoic acid
CID 23182045
2-[butyl(carboxy)amino]benzoic acid
CID 69470205
3-chloro-4-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102994616
1-[2-[ethyl(propyl)amino]phenyl]ethanone
CID 43268854
2-carboxyphenolate;N,N-diethylpropan-1-amine
CID 54677140
2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid
CID 175521616
N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994199

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]benzoic acid?
The IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]benzoic acid (CID 102994009) is 2-[3-(diethylamino)propyl-ethylamino]benzoic acid.
What is the SMILES notation for 2-[3-(diethylamino)propyl-ethylamino]benzoic acid?
The canonical SMILES for 2-[3-(diethylamino)propyl-ethylamino]benzoic acid is CCN(CC)CCCN(CC)c1ccccc1C(=O)O.
What is the InChIKey of 2-[3-(diethylamino)propyl-ethylamino]benzoic acid?
The InChIKey is UKOFZKZCYCNNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-17(5-2)12-9-13-18(6-3)15-11-8-7-10-14(15)16(19)20/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,19,20).
What are the key properties of 2-[3-(diethylamino)propyl-ethylamino]benzoic acid?
2-[3-(diethylamino)propyl-ethylamino]benzoic acid has a molecular weight of 278.40 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl-ethylamino]benzoic acid is sourced from PubChem (CID 102994009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).