1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide

C19H22N2O2 — CID 109043157

IUPAC1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c(C)c1
InChIInChI=1S/C19H22N2O2/c1-12(2)20-18(22)15-6-8-16(9-7-15)19(23)21-17-10-5-13(3)11-14(17)4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyXVJSEHJEAURVNO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.69
Rot. Bonds4

About 1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide

1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide (PubChem CID 109043157) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
PubChem CID109043157
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c(C)c1
InChIInChI=1S/C19H22N2O2/c1-12(2)20-18(22)15-6-8-16(9-7-15)19(23)21-17-10-5-13(3)11-14(17)4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyXVJSEHJEAURVNO-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

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Related Compounds

N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
2-N-(2,4-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078105
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
(2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid
CID 7137692
3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 136578574
4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide
CID 1224653
propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3712073
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
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049129
N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide (CID 109043157) is 1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide is Cc1ccc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c(C)c1.
What is the InChIKey of 1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The InChIKey is XVJSEHJEAURVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12(2)20-18(22)15-6-8-16(9-7-15)19(23)21-17-10-5-13(3)11-14(17)4/h5-12H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-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-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).