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

C16H25NO3 — CID 61486138

IUPAC2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1c(C)cc(CO)cc1C
InChIInChI=1S/C16H25NO3/c1-6-16(4,5)17-14(19)10-20-15-11(2)7-13(9-18)8-12(15)3/h7-8,18H,6,9-10H2,1-5H3,(H,17,19)
InChIKeySNZWSCGODAQJDP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.48
Rot. Bonds6

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

2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 61486138) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide
PubChem CID61486138
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1c(C)cc(CO)cc1C
InChIInChI=1S/C16H25NO3/c1-6-16(4,5)17-14(19)10-20-15-11(2)7-13(9-18)8-12(15)3/h7-8,18H,6,9-10H2,1-5H3,(H,17,19)
InChIKeySNZWSCGODAQJDP-UHFFFAOYSA-N
XLogP2.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486376
2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 43118005
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 43390532
2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 79844124
N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276736
2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 112611076
2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486362
4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60703784
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240
N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696240
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486238

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide (CID 61486138) is 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1c(C)cc(CO)cc1C.
What is the InChIKey of 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is SNZWSCGODAQJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-16(4,5)17-14(19)10-20-15-11(2)7-13(9-18)8-12(15)3/h7-8,18H,6,9-10H2,1-5H3,(H,17,19).
What are the key properties of 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide?
2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.48, 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)acetamide is sourced from PubChem (CID 61486138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).