3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide

C19H22N2O2 — CID 109050377

IUPAC3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C19H22N2O2/c1-4-11-20-18(22)15-8-6-9-16(12-15)19(23)21-17-10-5-7-13(2)14(17)3/h5-10,12H,4,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCXYFBXUHVSNRMT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.70
Rot. Bonds5

About 3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide

3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide (PubChem CID 109050377) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
PubChem CID109050377
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C19H22N2O2/c1-4-11-20-18(22)15-8-6-9-16(12-15)19(23)21-17-10-5-7-13(2)14(17)3/h5-10,12H,4,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCXYFBXUHVSNRMT-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

Analyze 3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-butyl-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109051150
1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109043741
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050570
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055274
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103641
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050442
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide (CID 109050377) is 3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide is CCCNC(=O)c1cccc(C(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of 3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide?
The InChIKey is CXYFBXUHVSNRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-11-20-18(22)15-8-6-9-16(12-15)19(23)21-17-10-5-7-13(2)14(17)3/h5-10,12H,4,11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide?
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-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 3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109050377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).