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

C20H24N2O4 — CID 109056037

IUPAC3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)22-19(24)14-8-6-7-13(11-14)18(23)21-16-10-9-15(25-4)12-17(16)26-5/h6-12H,1-5H3,(H,21,23)(H,22,24)
InChIKeyPNOXSKSJSPHBEW-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.48
Rot. Bonds5

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

3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109056037) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109056037
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)22-19(24)14-8-6-7-13(11-14)18(23)21-16-10-9-15(25-4)12-17(16)26-5/h6-12H,1-5H3,(H,21,23)(H,22,24)
InChIKeyPNOXSKSJSPHBEW-UHFFFAOYSA-N
XLogP3.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-hydroxybenzamide
CID 19256865
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052609
N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)benzamide
CID 7603182
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055230
3-acetamido-N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
CID 110764309
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106949
3-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056868
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide (CID 109056037) is 3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide is COc1ccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)c(OC)c1.
What is the InChIKey of 3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is PNOXSKSJSPHBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)22-19(24)14-8-6-7-13(11-14)18(23)21-16-10-9-15(25-4)12-17(16)26-5/h6-12H,1-5H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide?
3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).