N-(3,4-dimethylphenyl)-2,2-dimethylpropanamide

C13H19NO — CID 785468

IUPACN-(3,4-dimethylphenyl)-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C13H19NO/c1-9-6-7-11(8-10(9)2)14-12(15)13(3,4)5/h6-8H,1-5H3,(H,14,15)
InChIKeyJGIPPLZKJLOOEL-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.29
Rot. Bonds1

About N-(3,4-dimethylphenyl)-2,2-dimethylpropanamide

N-(3,4-dimethylphenyl)-2,2-dimethylpropanamide (PubChem CID 785468) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,2-dimethylpropanamide
PubChem CID785468
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(3,4-dimethylphenyl)-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C13H19NO/c1-9-6-7-11(8-10(9)2)14-12(15)13(3,4)5/h6-8H,1-5H3,(H,14,15)
InChIKeyJGIPPLZKJLOOEL-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Acetylaminofluorene
CID 5897
4-Methylquinolin-2-ol
CID 69088
N-(3-Methylphenyl)acetamide
CID 10843
4-Acetylaminofluorene
CID 34210
4-Methylacetanilide
CID 7684
N-acetyl-o-toluidine
CID 8443
N,N'-Diacetylbenzidine
CID 11942
N-Acetyl-4-aminobiphenyl
CID 19998
N-(2,4-Dimethylphenyl)acetamide
CID 16303
Acetylbenzidine
CID 18787
O-Ethylacetanilide
CID 36332
Thionalide
CID 66733

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,2-dimethylpropanamide (CID 785468) is N-(3,4-dimethylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,2-dimethylpropanamide is Cc1ccc(NC(=O)C(C)(C)C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,2-dimethylpropanamide?
The InChIKey is JGIPPLZKJLOOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-6-7-11(8-10(9)2)14-12(15)13(3,4)5/h6-8H,1-5H3,(H,14,15).
What are the key properties of N-(3,4-dimethylphenyl)-2,2-dimethylpropanamide?
N-(3,4-dimethylphenyl)-2,2-dimethylpropanamide has a molecular weight of 205.30 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 785468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).