N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide

C12H17NO4 — CID 104936417

IUPACN-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)O)cc(OC)c1
InChIInChI=1S/C12H17NO4/c1-12(2,15)11(14)13-8-5-9(16-3)7-10(6-8)17-4/h5-7,15H,1-4H3,(H,13,14)
InChIKeyGYCHWQQCBUIJOT-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.41
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide

N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide (PubChem CID 104936417) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
PubChem CID104936417
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)O)cc(OC)c1
InChIInChI=1S/C12H17NO4/c1-12(2,15)11(14)13-8-5-9(16-3)7-10(6-8)17-4/h5-7,15H,1-4H3,(H,13,14)
InChIKeyGYCHWQQCBUIJOT-UHFFFAOYSA-N
XLogP1.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 885871
3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 2764507
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731911
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide
CID 67082899
3-(3-bromo-5-methoxyanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82859803
2-(tert-butylamino)-N-(3,5-dimethoxyphenyl)acetamide
CID 27150052
3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
CID 82867396
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
N-(2-chloro-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 115178559
N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 103430147

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide (CID 104936417) is N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide is COc1cc(NC(=O)C(C)(C)O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide?
The InChIKey is GYCHWQQCBUIJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(2,15)11(14)13-8-5-9(16-3)7-10(6-8)17-4/h5-7,15H,1-4H3,(H,13,14).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide?
N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide has a molecular weight of 239.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 104936417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).