hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate

C24H31NO4 — CID 10111431

💊View drug profile → diethylamino hydroxybenzoyl hexyl benzoate
IUPAChexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
SMILESCCCCCCOC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O
InChIInChI=1S/C24H31NO4/c1-4-7-8-11-16-29-24(28)20-13-10-9-12-19(20)23(27)21-15-14-18(17-22(21)26)25(5-2)6-3/h9-10,12-15,17,26H,4-8,11,16H2,1-3H3
InChIKeyFDATWRLUYRHCJE-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.21
Rot. Bonds11

About hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate

hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate (PubChem CID 10111431) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate.

Molecular Properties

Compound Namehexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
PubChem CID10111431
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Namehexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
SMILESCCCCCCOC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O
InChIInChI=1S/C24H31NO4/c1-4-7-8-11-16-29-24(28)20-13-10-9-12-19(20)23(27)21-15-14-18(17-22(21)26)25(5-2)6-3/h9-10,12-15,17,26H,4-8,11,16H2,1-3H3
InChIKeyFDATWRLUYRHCJE-UHFFFAOYSA-N
XLogP5.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate 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-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid
CID 79878
2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid
CID 1910825
E-6201
CID 10172827
Hydroxytetracaine
CID 71630
1-(2-Hydroxy-4-morpholin-4-ylphenyl)ethanone
CID 9859309
2-(4-Dimethylamino-2-hydroxy-benzoyl)-benzoic acid
CID 655619
DNA-PK inhibitor V
CID 16760391
2-(4-((Cyclopropylmethyl)(3,4-dimethylphenyl)amino)-2-methoxybenzoyl)cyclopropanecarboxylic acid
CID 122670126
Dimethyl 1-[4-(ethoxycarbonyl)phenyl]-4-(3-hydroxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 1262617
Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate
CID 390508
(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-16-morpholin-4-yl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 10238173
(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-16-(methylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 10287145

Frequently Asked Questions

What is the IUPAC name of hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate?
The IUPAC name of hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate (CID 10111431) is hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate.
What is the SMILES notation for hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate?
The canonical SMILES for hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate is CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O.
What is the InChIKey of hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate?
The InChIKey is FDATWRLUYRHCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-4-7-8-11-16-29-24(28)20-13-10-9-12-19(20)23(27)21-15-14-18(17-22(21)26)25(5-2)6-3/h9-10,12-15,17,26H,4-8,11,16H2,1-3H3.
What are the key properties of hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate?
hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate has a molecular weight of 397.52 g/mol, XLogP of 5.21, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate is sourced from PubChem (CID 10111431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).