2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid

C34H44N2O5 — CID 174834050

IUPAC2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid
SMILESCCCCCCc1c(C(=O)O)cccc1C(=O)c1ccccc1O.CCN(CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H22O4.C14H22N2O/c1-2-3-4-5-9-14-15(11-8-12-16(14)20(23)24)19(22)17-10-6-7-13-18(17)21;1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h6-8,10-13,21H,2-5,9H2,1H3,(H,23,24);7-9H,5-6,10H2,1-4H3,(H,15,17)
InChIKeyIHWZDAVLPBOGEX-UHFFFAOYSA-N
MW560.74 g/mol
LogP7.03
Rot. Bonds13

About 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid

2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid (PubChem CID 174834050) has the molecular formula C34H44N2O5 and a molecular weight of 560.74 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid
PubChem CID174834050
Molecular FormulaC34H44N2O5
Molecular Weight560.74 g/mol
Exact Mass560.33
IUPAC Name2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid
SMILESCCCCCCc1c(C(=O)O)cccc1C(=O)c1ccccc1O.CCN(CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H22O4.C14H22N2O/c1-2-3-4-5-9-14-15(11-8-12-16(14)20(23)24)19(22)17-10-6-7-13-18(17)21;1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h6-8,10-13,21H,2-5,9H2,1H3,(H,23,24);7-9H,5-6,10H2,1-4H3,(H,15,17)
InChIKeyIHWZDAVLPBOGEX-UHFFFAOYSA-N
XLogP7.03
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.74
LogP ≤ 57.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid
CID 155092479
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
2-(hexadecanoylamino)-3-methylbenzoic acid
CID 12800042
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
CID 67896039
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate
CID 130251780
docosane;2-hydroxybenzoic acid
CID 161423500
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 68814449
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
2,3-diheptyl-4-hydroxybenzoic acid
CID 69402262

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid?
The IUPAC name of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid (CID 174834050) is 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid.
What is the SMILES notation for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid?
The canonical SMILES for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid is CCCCCCc1c(C(=O)O)cccc1C(=O)c1ccccc1O.CCN(CC)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid?
The InChIKey is IHWZDAVLPBOGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4.C14H22N2O/c1-2-3-4-5-9-14-15(11-8-12-16(14)20(23)24)19(22)17-10-6-7-13-18(17)21;1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h6-8,10-13,21H,2-5,9H2,1H3,(H,23,24);7-9H,5-6,10H2,1-4H3,(H,15,17).
What are the key properties of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid?
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid has a molecular weight of 560.74 g/mol, XLogP of 7.03, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid is sourced from PubChem (CID 174834050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).