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

C19H22N2O4 — CID 109043198

IUPAC1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c(OC)c1
InChIInChI=1S/C19H22N2O4/c1-12(2)20-18(22)13-5-7-14(8-6-13)19(23)21-16-10-9-15(24-3)11-17(16)25-4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyNEOHMPCLIYCXSV-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.09
Rot. Bonds6

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

1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide (PubChem CID 109043198) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
PubChem CID109043198
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c(OC)c1
InChIInChI=1S/C19H22N2O4/c1-12(2)20-18(22)13-5-7-14(8-6-13)19(23)21-16-10-9-15(24-3)11-17(16)25-4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyNEOHMPCLIYCXSV-UHFFFAOYSA-N
XLogP3.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109044149
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
4-N-(2,4-dimethoxyphenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078342
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
3-acetamido-N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
CID 110764309
4-(diethylamino)-N-(2,4-dimethoxyphenyl)benzamide
CID 9120164
N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide
CID 24536376
4-N-(2,4-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045814
N-(2,4-dimethoxyphenyl)-4-(ethylsulfonylamino)benzamide
CID 92643115
N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18104017

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide (CID 109043198) is 1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide is COc1ccc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c(OC)c1.
What is the InChIKey of 1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The InChIKey is NEOHMPCLIYCXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(2)20-18(22)13-5-7-14(8-6-13)19(23)21-16-10-9-15(24-3)11-17(16)25-4/h5-12H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).