5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide

C13H18N2O2 — CID 91187790

IUPAC5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
SMILESCc1cc(C(N)=O)cc(C(=O)NCC(C)C)c1
InChIInChI=1S/C13H18N2O2/c1-8(2)7-15-13(17)11-5-9(3)4-10(6-11)12(14)16/h4-6,8H,7H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyYYMXFLBPRDGQPP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.48
Rot. Bonds4

About 5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide

5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide (PubChem CID 91187790) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
PubChem CID91187790
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
SMILESCc1cc(C(N)=O)cc(C(=O)NCC(C)C)c1
InChIInChI=1S/C13H18N2O2/c1-8(2)7-15-13(17)11-5-9(3)4-10(6-11)12(14)16/h4-6,8H,7H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyYYMXFLBPRDGQPP-UHFFFAOYSA-N
XLogP1.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide
CID 90164942
5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 21084966
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-chloro-N-(2-chloropropyl)-5-methylbenzamide
CID 114296400
4-[(3,5-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 81065212
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66165173
2-amino-6-tert-butyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 113380941
3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906385
5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide
CID 86337510
1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
CID 70884498
ethyl 3-(2-methylpropylcarbamoyl)-5-nitrobenzoate
CID 27539039
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide (CID 91187790) is 5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide is Cc1cc(C(N)=O)cc(C(=O)NCC(C)C)c1.
What is the InChIKey of 5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
The InChIKey is YYMXFLBPRDGQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)7-15-13(17)11-5-9(3)4-10(6-11)12(14)16/h4-6,8H,7H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of 5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 91187790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).