N'-(2,4-dimethylphenyl)-N-methylbutanediamide

C13H18N2O2 — CID 1356428

IUPACN'-(2,4-dimethylphenyl)-N-methylbutanediamide
SMILESCNC(=O)CCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C13H18N2O2/c1-9-4-5-11(10(2)8-9)15-13(17)7-6-12(16)14-3/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyNJYAUBCNVGYSQI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.77
Rot. Bonds4

About N'-(2,4-dimethylphenyl)-N-methylbutanediamide

N'-(2,4-dimethylphenyl)-N-methylbutanediamide (PubChem CID 1356428) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-methylbutanediamide.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-methylbutanediamide
PubChem CID1356428
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN'-(2,4-dimethylphenyl)-N-methylbutanediamide
SMILESCNC(=O)CCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C13H18N2O2/c1-9-4-5-11(10(2)8-9)15-13(17)7-6-12(16)14-3/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyNJYAUBCNVGYSQI-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-N-methylbutanediamide?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-methylbutanediamide (CID 1356428) is N'-(2,4-dimethylphenyl)-N-methylbutanediamide.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-methylbutanediamide?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-methylbutanediamide is CNC(=O)CCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-methylbutanediamide?
The InChIKey is NJYAUBCNVGYSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-4-5-11(10(2)8-9)15-13(17)7-6-12(16)14-3/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2,4-dimethylphenyl)-N-methylbutanediamide?
N'-(2,4-dimethylphenyl)-N-methylbutanediamide has a molecular weight of 234.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-N-methylbutanediamide is sourced from PubChem (CID 1356428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).