4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide

C21H26N2O2 — CID 109048813

IUPAC4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-5-6-11-23(4)21(25)18-9-7-17(8-10-18)20(24)22-19-13-15(2)12-16(3)14-19/h7-10,12-14H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyZJZYTPROGLZGMF-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.43
Rot. Bonds6

About 4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide

4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide (PubChem CID 109048813) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
PubChem CID109048813
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-5-6-11-23(4)21(25)18-9-7-17(8-10-18)20(24)22-19-13-15(2)12-16(3)14-19/h7-10,12-14H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyZJZYTPROGLZGMF-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

4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048817
4-N-butyl-1-N-(2,4-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048810
4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048834
3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056365
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
1-N-butyl-3-N-(3,5-dimethylphenyl)-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071479
3-[butyl(methyl)carbamoyl]-5-methylbenzoic acid
CID 68655036
N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309070
4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
1-N-(3,5-dimethylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056605
4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047835

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide (CID 109048813) is 4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide is CCCCN(C)C(=O)c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is ZJZYTPROGLZGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-6-11-23(4)21(25)18-9-7-17(8-10-18)20(24)22-19-13-15(2)12-16(3)14-19/h7-10,12-14H,5-6,11H2,1-4H3,(H,22,24).
What are the key properties of 4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide?
4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-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 4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).