1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide

C20H24N2O2 — CID 109043741

IUPAC1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C20H24N2O2/c1-4-5-13-21-19(23)16-9-11-17(12-10-16)20(24)22-18-8-6-7-14(2)15(18)3/h6-12H,4-5,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyXSKJHKMQQPTNHU-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.09
Rot. Bonds6

About 1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide

1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109043741) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide
PubChem CID109043741
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C20H24N2O2/c1-4-5-13-21-19(23)16-9-11-17(12-10-16)20(24)22-18-8-6-7-14(2)15(18)3/h6-12H,4-5,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyXSKJHKMQQPTNHU-UHFFFAOYSA-N
XLogP4.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.09
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

1-N-butyl-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109051150
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043746
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103641
2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131309
4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide
CID 7946952
N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide
CID 53287045
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide (CID 109043741) is 1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide is CCCCNC(=O)c1ccc(C(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of 1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is XSKJHKMQQPTNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-5-13-21-19(23)16-9-11-17(12-10-16)20(24)22-18-8-6-7-14(2)15(18)3/h6-12H,4-5,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide?
1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).