2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide

C24H25N3O3 — CID 60517557

IUPAC2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide
SMILESCc1cccc(Nc2ccccc2C(=O)NCCNC(=O)c2ccc(O)cc2)c1C
InChIInChI=1S/C24H25N3O3/c1-16-6-5-9-21(17(16)2)27-22-8-4-3-7-20(22)24(30)26-15-14-25-23(29)18-10-12-19(28)13-11-18/h3-13,27-28H,14-15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyUBGMUJFEVOHMHN-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.91
Rot. Bonds7

About 2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide

2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide (PubChem CID 60517557) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide
PubChem CID60517557
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide
SMILESCc1cccc(Nc2ccccc2C(=O)NCCNC(=O)c2ccc(O)cc2)c1C
InChIInChI=1S/C24H25N3O3/c1-16-6-5-9-21(17(16)2)27-22-8-4-3-7-20(22)24(30)26-15-14-25-23(29)18-10-12-19(28)13-11-18/h3-13,27-28H,14-15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyUBGMUJFEVOHMHN-UHFFFAOYSA-N
XLogP3.91
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dimethylanilino)-N-[2-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethyl]benzamide
CID 89000800
2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27743019
2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 60552297
2-(2,3-dimethylanilino)-N-(2-fluorophenyl)benzamide
CID 18273886
N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide
CID 18207871
2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 86921324
N-[2-(dimethylamino)ethyl]-2-(2-methylanilino)benzamide
CID 163646514
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 39964889
1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109043741
2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide
CID 90667505
CID 10739949
CID 10739949

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide (CID 60517557) is 2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide is Cc1cccc(Nc2ccccc2C(=O)NCCNC(=O)c2ccc(O)cc2)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide?
The InChIKey is UBGMUJFEVOHMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-6-5-9-21(17(16)2)27-22-8-4-3-7-20(22)24(30)26-15-14-25-23(29)18-10-12-19(28)13-11-18/h3-13,27-28H,14-15H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide?
2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide has a molecular weight of 403.48 g/mol, XLogP of 3.91, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 60517557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).