1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide

C22H28N2O2 — CID 109048639

IUPAC1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(C(=O)NCCC(C)C)cc2)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-14(2)10-11-23-21(25)18-6-8-19(9-7-18)22(26)24-20-16(4)12-15(3)13-17(20)5/h6-9,12-14H,10-11H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyNHEUAIYVZANUPK-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.64
Rot. Bonds6

About 1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide

1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109048639) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
PubChem CID109048639
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(C(=O)NCCC(C)C)cc2)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-14(2)10-11-23-21(25)18-6-8-19(9-7-18)22(26)24-20-16(4)12-15(3)13-17(20)5/h6-9,12-14H,10-11H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyNHEUAIYVZANUPK-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056183
1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109048706
5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109239926
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056257
1-N-(3-methylbutyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979657
2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089566
4-(ethylamino)-N-(2,4,6-trimethylphenyl)benzamide
CID 62186255
2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263439
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 48845732

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide (CID 109048639) is 1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide is Cc1cc(C)c(NC(=O)c2ccc(C(=O)NCCC(C)C)cc2)c(C)c1.
What is the InChIKey of 1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is NHEUAIYVZANUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-14(2)10-11-23-21(25)18-6-8-19(9-7-18)22(26)24-20-16(4)12-15(3)13-17(20)5/h6-9,12-14H,10-11H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide?
1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).