4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide

C19H22N2O2 — CID 109042965

IUPAC4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
SMILESCCCNC(=O)c1ccc(C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H22N2O2/c1-4-11-20-18(22)15-6-8-16(9-7-15)19(23)21-17-10-5-13(2)12-14(17)3/h5-10,12H,4,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyKTHGQVMUGHTSSZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.70
Rot. Bonds5

About 4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide

4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide (PubChem CID 109042965) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
PubChem CID109042965
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
SMILESCCCNC(=O)c1ccc(C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H22N2O2/c1-4-11-20-18(22)15-6-8-16(9-7-15)19(23)21-17-10-5-13(2)12-14(17)3/h5-10,12H,4,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyKTHGQVMUGHTSSZ-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
4-N-butyl-1-N-(2,4-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048810
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide
CID 3645447
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
2,4-dimethyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 34748509
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4303867
3-amino-4-(2,5-dimethylanilino)-N-propylbenzamide
CID 100624447
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
1-tert-butyl-4-methylbenzene;bis(4-tert-butyl-N-propylbenzamide)
CID 159281863

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide (CID 109042965) is 4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide is CCCNC(=O)c1ccc(C(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide?
The InChIKey is KTHGQVMUGHTSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-11-20-18(22)15-6-8-16(9-7-15)19(23)21-17-10-5-13(2)12-14(17)3/h5-10,12H,4,11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide?
4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109042965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).