N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide

C14H22N2O — CID 115379519

IUPACN-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1N(C)C
InChIInChI=1S/C14H22N2O/c1-10-7-8-11(9-12(10)16(5)6)15-13(17)14(2,3)4/h7-9H,1-6H3,(H,15,17)
InChIKeyIIHZEWQYASSOHN-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.05
Rot. Bonds2

About N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide

N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 115379519) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide
PubChem CID115379519
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1N(C)C
InChIInChI=1S/C14H22N2O/c1-10-7-8-11(9-12(10)16(5)6)15-13(17)14(2,3)4/h7-9H,1-6H3,(H,15,17)
InChIKeyIIHZEWQYASSOHN-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(dimethylamino)-4-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 115377382
2-amino-2-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]propanamide
CID 115377371
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
5-(2,2-dimethylpropanoylamino)-2-methylbenzoic acid
CID 63652956
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid
CID 115378578
3-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]propanoic acid
CID 115378615
N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-methylbenzamide
CID 115377986
1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea
CID 116656999
N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378236
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide
CID 116678635

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide (CID 115379519) is N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide is Cc1ccc(NC(=O)C(C)(C)C)cc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is IIHZEWQYASSOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-7-8-11(9-12(10)16(5)6)15-13(17)14(2,3)4/h7-9H,1-6H3,(H,15,17).
What are the key properties of N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide?
N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 115379519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).