2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide

C17H27NO3 — CID 43118005

IUPAC2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1c(C)cc(CO)cc1C
InChIInChI=1S/C17H27NO3/c1-7-17(5,6)18-16(20)13(4)21-15-11(2)8-14(10-19)9-12(15)3/h8-9,13,19H,7,10H2,1-6H3,(H,18,20)
InChIKeyAJLXAMDYDCLCLH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.87
Rot. Bonds6

About 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide

2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 43118005) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide
PubChem CID43118005
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1c(C)cc(CO)cc1C
InChIInChI=1S/C17H27NO3/c1-7-17(5,6)18-16(20)13(4)21-15-11(2)8-14(10-19)9-12(15)3/h8-9,13,19H,7,10H2,1-6H3,(H,18,20)
InChIKeyAJLXAMDYDCLCLH-UHFFFAOYSA-N
XLogP2.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 115962241
2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486138
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63325105
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 115956300
2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 61391752
2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide
CID 43118029
2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 63325789
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide
CID 43122441
2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 61400047
3-bromo-4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 63052137
2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 107497904
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide (CID 43118005) is 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1c(C)cc(CO)cc1C.
What is the InChIKey of 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is AJLXAMDYDCLCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-7-17(5,6)18-16(20)13(4)21-15-11(2)8-14(10-19)9-12(15)3/h8-9,13,19H,7,10H2,1-6H3,(H,18,20).
What are the key properties of 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide?
2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 43118005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).