4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide

C21H26N2O2 — CID 109048817

IUPAC4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-4-6-15-23(3)21(25)18-11-9-17(10-12-18)20(24)22-19-13-7-16(5-2)8-14-19/h7-14H,4-6,15H2,1-3H3,(H,22,24)
InChIKeyVAKHUYZJSKQLLO-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.37
Rot. Bonds7

About 4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide

4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide (PubChem CID 109048817) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
PubChem CID109048817
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-4-6-15-23(3)21(25)18-11-9-17(10-12-18)20(24)22-19-13-7-16(5-2)8-14-19/h7-14H,4-6,15H2,1-3H3,(H,22,24)
InChIKeyVAKHUYZJSKQLLO-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048813
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048834
N-(3-bromopropyl)-4-ethyl-N-methylbenzamide
CID 106441145
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
CID 86898199
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047835
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
N-(4-ethylphenyl)benzamide
CID 774063

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide (CID 109048817) is 4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide is CCCCN(C)C(=O)c1ccc(C(=O)Nc2ccc(CC)cc2)cc1.
What is the InChIKey of 4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is VAKHUYZJSKQLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-6-15-23(3)21(25)18-11-9-17(10-12-18)20(24)22-19-13-7-16(5-2)8-14-19/h7-14H,4-6,15H2,1-3H3,(H,22,24).
What are the key properties of 4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide?
4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.37, 7 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-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).