N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide

C14H21NO — CID 123550338

IUPACN-(3,4-dimethylphenyl)-N,3-dimethylbutanamide
SMILESCc1ccc(N(C)C(=O)CC(C)C)cc1C
InChIInChI=1S/C14H21NO/c1-10(2)8-14(16)15(5)13-7-6-11(3)12(4)9-13/h6-7,9-10H,8H2,1-5H3
InChIKeyJCLLQITVSYROPJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.31
Rot. Bonds3

About N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide

N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide (PubChem CID 123550338) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N,3-dimethylbutanamide
PubChem CID123550338
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(3,4-dimethylphenyl)-N,3-dimethylbutanamide
SMILESCc1ccc(N(C)C(=O)CC(C)C)cc1C
InChIInChI=1S/C14H21NO/c1-10(2)8-14(16)15(5)13-7-6-11(3)12(4)9-13/h6-7,9-10H,8H2,1-5H3
InChIKeyJCLLQITVSYROPJ-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176241
N-(3,4-dimethylphenyl)-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119741824
CID 59369453
CID 59369453
ethyl 3-oxo-3-(N,3,4-trimethylanilino)propanoate
CID 115138487
3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 83535959
N-(4-acetamidophenyl)-N,3-dimethylbutanamide
CID 113094936
5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid
CID 115268096
2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 123790162
N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide
CID 100784998
(2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 145175354
3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255244
4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115156304

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide (CID 123550338) is N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide is Cc1ccc(N(C)C(=O)CC(C)C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide?
The InChIKey is JCLLQITVSYROPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)8-14(16)15(5)13-7-6-11(3)12(4)9-13/h6-7,9-10H,8H2,1-5H3.
What are the key properties of N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide?
N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide has a molecular weight of 219.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 123550338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).