2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid

C24H31NO4 — CID 151961564

IUPAC2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid
SMILESCCC(CCCc1cccc(C(=O)c2ccccc2C(=O)O)c1O)N(CC)CC
InChIInChI=1S/C24H31NO4/c1-4-18(25(5-2)6-3)13-9-11-17-12-10-16-21(22(17)26)23(27)19-14-7-8-15-20(19)24(28)29/h7-8,10,12,14-16,18,26H,4-6,9,11,13H2,1-3H3,(H,28,29)
InChIKeyTYTROKLSEPHSEJ-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.76
Rot. Bonds11

About 2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid

2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid (PubChem CID 151961564) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid.

Molecular Properties

Compound Name2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid
PubChem CID151961564
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid
SMILESCCC(CCCc1cccc(C(=O)c2ccccc2C(=O)O)c1O)N(CC)CC
InChIInChI=1S/C24H31NO4/c1-4-18(25(5-2)6-3)13-9-11-17-12-10-16-21(22(17)26)23(27)19-14-7-8-15-20(19)24(28)29/h7-8,10,12,14-16,18,26H,4-6,9,11,13H2,1-3H3,(H,28,29)
InChIKeyTYTROKLSEPHSEJ-UHFFFAOYSA-N
XLogP4.76
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]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

3-butyl-2-hydroxybenzoic acid
CID 18681512
3-heptyl-2-hydroxybenzoic acid
CID 67845198
3-(3-ethylheptyl)-2-hydroxybenzoic acid
CID 70566395
(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
CID 91614049
3-(6-ethyloctyl)phthalic acid
CID 175548191
3-butyl-2-hydroxy-N,N-dimethylbenzamide
CID 22930623
3-butylphthalic acid;hydrate
CID 174841186
3-tetradecylphthalic acid
CID 22912670
3-dodecylphthalic acid
CID 19855185
3-(11-methyldodecyl)phthalic acid
CID 69475876
2-[2-(diethylamino)benzoyl]benzoic acid
CID 151183453
2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid
CID 21083111

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid?
The IUPAC name of 2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid (CID 151961564) is 2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid.
What is the SMILES notation for 2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid?
The canonical SMILES for 2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid is CCC(CCCc1cccc(C(=O)c2ccccc2C(=O)O)c1O)N(CC)CC.
What is the InChIKey of 2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid?
The InChIKey is TYTROKLSEPHSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-4-18(25(5-2)6-3)13-9-11-17-12-10-16-21(22(17)26)23(27)19-14-7-8-15-20(19)24(28)29/h7-8,10,12,14-16,18,26H,4-6,9,11,13H2,1-3H3,(H,28,29).
What are the key properties of 2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid?
2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid has a molecular weight of 397.52 g/mol, XLogP of 4.76, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid is sourced from PubChem (CID 151961564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).