3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide

C21H26N2O2 — CID 109056365

IUPAC3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C21H26N2O2/c1-5-6-12-23(4)21(25)18-9-7-8-17(14-18)20(24)22-19-11-10-15(2)16(3)13-19/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,24)
InChIKeyYYKVCMXSAFXFRT-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.43
Rot. Bonds6

About 3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide

3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 109056365) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID109056365
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C21H26N2O2/c1-5-6-12-23(4)21(25)18-9-7-8-17(14-18)20(24)22-19-11-10-15(2)16(3)13-19/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,24)
InChIKeyYYKVCMXSAFXFRT-UHFFFAOYSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056374
3-N-butyl-1-N-(4-cyanophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056438
3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056441
3-N-butyl-3-N-methyl-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050938
3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056400
1-N-(3-chloro-4-methylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056621
1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
CID 109055821
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052570
4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048813
3-N-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054238
3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050442
N-butyl-3-carbamothioyl-N-methylbenzamide
CID 24696924

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide (CID 109056365) is 3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide is CCCCN(C)C(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is YYKVCMXSAFXFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-6-12-23(4)21(25)18-9-7-8-17(14-18)20(24)22-19-11-10-15(2)16(3)13-19/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,24).
What are the key properties of 3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide?
3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).