N,3-dimethyl-2-(4-methylphenyl)butanamide

C13H19NO — CID 118371719

IUPACN,3-dimethyl-2-(4-methylphenyl)butanamide
SMILESCNC(=O)C(c1ccc(C)cc1)C(C)C
InChIInChI=1S/C13H19NO/c1-9(2)12(13(15)14-4)11-7-5-10(3)6-8-11/h5-9,12H,1-4H3,(H,14,15)
InChIKeyYUFFRBOEZDQAGK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.48
Rot. Bonds3

About N,3-dimethyl-2-(4-methylphenyl)butanamide

N,3-dimethyl-2-(4-methylphenyl)butanamide (PubChem CID 118371719) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N,3-dimethyl-2-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN,3-dimethyl-2-(4-methylphenyl)butanamide
PubChem CID118371719
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN,3-dimethyl-2-(4-methylphenyl)butanamide
SMILESCNC(=O)C(c1ccc(C)cc1)C(C)C
InChIInChI=1S/C13H19NO/c1-9(2)12(13(15)14-4)11-7-5-10(3)6-8-11/h5-9,12H,1-4H3,(H,14,15)
InChIKeyYUFFRBOEZDQAGK-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide
CID 110316745
4-[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzoic acid
CID 59462566
3-methyl-2-(4-methylphenyl)butanoyl chloride
CID 14359807
N-methyl-2-(4-methylphenyl)butanamide
CID 177273297
2-cyano-N-methyl-2-(4-methylphenyl)acetamide
CID 130010975
N,N'-dimethyl-2,3-diphenylbutanediamide
CID 15634660
(2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide
CID 15177727
N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide
CID 110316778
N-methyl-3-(4-methylphenyl)butanamide
CID 82075625
1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one
CID 4300179
3-methyl-2-(4-methylphenyl)-N-[3-(4-sulfamoylphenyl)propyl]butanamide
CID 110313954
(2R)-2-amino-3-methyl-N-[1-(4-methylphenyl)ethyl]butanamide
CID 79012258

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(4-methylphenyl)butanamide?
The IUPAC name of N,3-dimethyl-2-(4-methylphenyl)butanamide (CID 118371719) is N,3-dimethyl-2-(4-methylphenyl)butanamide.
What is the SMILES notation for N,3-dimethyl-2-(4-methylphenyl)butanamide?
The canonical SMILES for N,3-dimethyl-2-(4-methylphenyl)butanamide is CNC(=O)C(c1ccc(C)cc1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(4-methylphenyl)butanamide?
The InChIKey is YUFFRBOEZDQAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)12(13(15)14-4)11-7-5-10(3)6-8-11/h5-9,12H,1-4H3,(H,14,15).
What are the key properties of N,3-dimethyl-2-(4-methylphenyl)butanamide?
N,3-dimethyl-2-(4-methylphenyl)butanamide has a molecular weight of 205.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(4-methylphenyl)butanamide is sourced from PubChem (CID 118371719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).