3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide

C16H25NO3 — CID 64556599

IUPAC3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCCC(C)(CO)NC(=O)CCOc1ccc(C)cc1C
InChIInChI=1S/C16H25NO3/c1-5-16(4,11-18)17-15(19)8-9-20-14-7-6-12(2)10-13(14)3/h6-7,10,18H,5,8-9,11H2,1-4H3,(H,17,19)
InChIKeyVVMMWJHPQHMKKS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.35
Rot. Bonds7

About 3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide

3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide (PubChem CID 64556599) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
PubChem CID64556599
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCCC(C)(CO)NC(=O)CCOc1ccc(C)cc1C
InChIInChI=1S/C16H25NO3/c1-5-16(4,11-18)17-15(19)8-9-20-14-7-6-12(2)10-13(14)3/h6-7,10,18H,5,8-9,11H2,1-4H3,(H,17,19)
InChIKeyVVMMWJHPQHMKKS-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64558151
3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 65113922
3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64558336
5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64803899
(2R)-2-[3-(2,4-dimethylphenoxy)propanoylamino]-3-hydroxypropanoic acid
CID 80750754
3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide
CID 115735175
3-(2,4-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)propanamide
CID 81341084
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412
3-(2,4-dimethylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730620
N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide
CID 55726149
6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804740
N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride
CID 119571557

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
The IUPAC name of 3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide (CID 64556599) is 3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide is CCC(C)(CO)NC(=O)CCOc1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
The InChIKey is VVMMWJHPQHMKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-16(4,11-18)17-15(19)8-9-20-14-7-6-12(2)10-13(14)3/h6-7,10,18H,5,8-9,11H2,1-4H3,(H,17,19).
What are the key properties of 3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 64556599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).