1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide

C19H22N2O2 — CID 109050570

IUPAC1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)NC(C)C)c2)c1C
InChIInChI=1S/C19H22N2O2/c1-12(2)20-18(22)15-8-6-9-16(11-15)19(23)21-17-10-5-7-13(3)14(17)4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyWNFVTPMFDGIZNC-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.69
Rot. Bonds4

About 1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide

1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide (PubChem CID 109050570) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
PubChem CID109050570
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)NC(C)C)c2)c1C
InChIInChI=1S/C19H22N2O2/c1-12(2)20-18(22)15-8-6-9-16(11-15)19(23)21-17-10-5-7-13(3)14(17)4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyWNFVTPMFDGIZNC-UHFFFAOYSA-N
XLogP3.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-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

3-N-(2,3-dimethylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101427
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051512
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057283
1-N-butyl-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109051150
1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050654

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide (CID 109050570) is 1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide is Cc1cccc(NC(=O)c2cccc(C(=O)NC(C)C)c2)c1C.
What is the InChIKey of 1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is WNFVTPMFDGIZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12(2)20-18(22)15-8-6-9-16(11-15)19(23)21-17-10-5-7-13(3)14(17)4/h5-12H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109050570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).