3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide

C21H26N2O2 — CID 109056183

IUPAC3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(C(=O)NCCC(C)C)c2)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)8-9-22-20(24)17-6-5-7-18(13-17)21(25)23-19-11-15(3)10-16(4)12-19/h5-7,10-14H,8-9H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyFKOQGPRTMQEALY-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.33
Rot. Bonds6

About 3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide

3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide (PubChem CID 109056183) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
PubChem CID109056183
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(C(=O)NCCC(C)C)c2)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)8-9-22-20(24)17-6-5-7-18(13-17)21(25)23-19-11-15(3)10-16(4)12-19/h5-7,10-14H,8-9H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyFKOQGPRTMQEALY-UHFFFAOYSA-N
XLogP4.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056207
ethyl 4-[[3-(3-methylbutylcarbamoyl)benzoyl]amino]benzoate
CID 109056240
3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056257
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide
CID 1020096
1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054298
1-N-(3-methylbutyl)-3-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056231
1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109048639
3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055819
3-methyl-N-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]benzamide
CID 110979411
1-N-(3,5-dimethylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056605

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide (CID 109056183) is 3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide is Cc1cc(C)cc(NC(=O)c2cccc(C(=O)NCCC(C)C)c2)c1.
What is the InChIKey of 3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The InChIKey is FKOQGPRTMQEALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)8-9-22-20(24)17-6-5-7-18(13-17)21(25)23-19-11-15(3)10-16(4)12-19/h5-7,10-14H,8-9H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).