N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide

C14H21NO2 — CID 22905642

IUPACN-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
SMILESCOc1c(C)cc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C14H21NO2/c1-9-7-11(8-10(2)12(9)17-6)15-13(16)14(3,4)5/h7-8H,1-6H3,(H,15,16)
InChIKeyTYMAPAJRSVFQMT-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.30
Rot. Bonds2

About N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide

N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide (PubChem CID 22905642) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
PubChem CID22905642
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
SMILESCOc1c(C)cc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C14H21NO2/c1-9-7-11(8-10(2)12(9)17-6)15-13(16)14(3,4)5/h7-8H,1-6H3,(H,15,16)
InChIKeyTYMAPAJRSVFQMT-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 100690476
(2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide
CID 100702276
methyl 3-(4-methoxy-3,5-dimethylanilino)-3-oxopropanoate
CID 115174171
N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide
CID 133254721
(2R)-N-(4-methoxy-3,5-dimethylphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100739126
methyl 2-(4-methoxy-3,5-dimethylanilino)acetate
CID 115232720
2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
CID 36673040
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid
CID 115163818
5-(2,2-dimethylpropanoylamino)benzene-1,3-dicarboxylic acid
CID 749542
3-amino-N-(4-methoxy-3,5-dimethylphenyl)-2-methylpropanamide
CID 115153518
2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide
CID 115186393

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide (CID 22905642) is N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide is COc1c(C)cc(NC(=O)C(C)(C)C)cc1C.
What is the InChIKey of N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide?
The InChIKey is TYMAPAJRSVFQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-7-11(8-10(2)12(9)17-6)15-13(16)14(3,4)5/h7-8H,1-6H3,(H,15,16).
What are the key properties of N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide?
N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 22905642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).