N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide

C21H26N2O2 — CID 3645447

IUPACN-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide
SMILESCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H26N2O2/c1-4-5-6-7-20(24)22-18-11-9-17(10-12-18)21(25)23-19-13-8-15(2)14-16(19)3/h8-14H,4-7H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAUSZOKXXITUAAY-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.07
Rot. Bonds7

About N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide

N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide (PubChem CID 3645447) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide
PubChem CID3645447
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide
SMILESCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H26N2O2/c1-4-5-6-7-20(24)22-18-11-9-17(10-12-18)21(25)23-19-13-8-15(2)14-16(19)3/h8-14H,4-7H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAUSZOKXXITUAAY-UHFFFAOYSA-N
XLogP5.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide
CID 54789624
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide
CID 3669912
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042965
4-N-butyl-1-N-(2,4-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048810
2-[[4-(hexanoylamino)benzoyl]amino]benzoic acid
CID 3756720
N-(2-chlorophenyl)-4-(octanoylamino)benzamide
CID 171980600
4-(henicosanoylamino)-3-methylbenzoic acid
CID 12800016
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide (CID 3645447) is N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide is CCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide?
The InChIKey is AUSZOKXXITUAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-5-6-7-20(24)22-18-11-9-17(10-12-18)21(25)23-19-13-8-15(2)14-16(19)3/h8-14H,4-7H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide?
N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide has a molecular weight of 338.45 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide is sourced from PubChem (CID 3645447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).