3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide

C21H26N2O4 — CID 109056400

IUPAC3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C21H26N2O4/c1-5-6-12-23(2)21(25)16-9-7-8-15(13-16)20(24)22-18-14-17(26-3)10-11-19(18)27-4/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,24)
InChIKeyLBWUCNHVMZVNNI-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.83
Rot. Bonds8

About 3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide

3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 109056400) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID109056400
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C21H26N2O4/c1-5-6-12-23(2)21(25)16-9-7-8-15(13-16)20(24)22-18-14-17(26-3)10-11-19(18)27-4/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,24)
InChIKeyLBWUCNHVMZVNNI-UHFFFAOYSA-N
XLogP3.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide
CID 108511949
3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109055697
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109161559
3-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056868
3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056365
3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119715062
3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056441
6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099568
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
3-N-butyl-1-N-(4-cyanophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056438
N-(2,5-dimethoxyphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139561
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109125715

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide (CID 109056400) is 3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide is CCCCN(C)C(=O)c1cccc(C(=O)Nc2cc(OC)ccc2OC)c1.
What is the InChIKey of 3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is LBWUCNHVMZVNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-6-12-23(2)21(25)16-9-7-8-15(13-16)20(24)22-18-14-17(26-3)10-11-19(18)27-4/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,24).
What are the key properties of 3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide?
3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).