N-(3-methoxyphenyl)-2,2-dimethylpropanamide

C12H17NO2 — CID 546358

IUPACN-(3-methoxyphenyl)-2,2-dimethylpropanamide
SMILESCOc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C12H17NO2/c1-12(2,3)11(14)13-9-6-5-7-10(8-9)15-4/h5-8H,1-4H3,(H,13,14)
InChIKeyDAFHCFQPQMYDFI-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.68
Rot. Bonds2

About N-(3-methoxyphenyl)-2,2-dimethylpropanamide

N-(3-methoxyphenyl)-2,2-dimethylpropanamide (PubChem CID 546358) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,2-dimethylpropanamide
PubChem CID546358
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(3-methoxyphenyl)-2,2-dimethylpropanamide
SMILESCOc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C12H17NO2/c1-12(2,3)11(14)13-9-6-5-7-10(8-9)15-4/h5-8H,1-4H3,(H,13,14)
InChIKeyDAFHCFQPQMYDFI-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-methoxyphenyl)-2,2-dimethylpropanamide (CID 546358) is N-(3-methoxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,2-dimethylpropanamide is COc1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is DAFHCFQPQMYDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,3)11(14)13-9-6-5-7-10(8-9)15-4/h5-8H,1-4H3,(H,13,14).
What are the key properties of N-(3-methoxyphenyl)-2,2-dimethylpropanamide?
N-(3-methoxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 207.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 546358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).