3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide

C18H21NO3 — CID 123525070

IUPAC3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1cc(C)c(Oc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C18H21NO3/c1-12-10-14(4-9-17(21)19-3)11-13(2)18(12)22-16-7-5-15(20)6-8-16/h5-8,10-11,20H,4,9H2,1-3H3,(H,19,21)
InChIKeyVYRJRAYYWFJBST-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.48
Rot. Bonds5

About 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide

3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide (PubChem CID 123525070) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide
PubChem CID123525070
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1cc(C)c(Oc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C18H21NO3/c1-12-10-14(4-9-17(21)19-3)11-13(2)18(12)22-16-7-5-15(20)6-8-16/h5-8,10-11,20H,4,9H2,1-3H3,(H,19,21)
InChIKeyVYRJRAYYWFJBST-UHFFFAOYSA-N
XLogP3.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide
CID 144504663
N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide
CID 123574671
3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide
CID 123425395
ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide
CID 144504805
3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide
CID 123164997
ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfinylpropanamide;3-[3-(4-hydroxyphenoxy)-2,4-dimethylphenyl]propanoic acid
CID 144504839
5-[2,6-dimethyl-4-[3-oxo-3-(sulfanylamino)propyl]phenoxy]-2-hydroxybenzamide
CID 144504712
ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide
CID 144504755
3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide
CID 58875625
2-[3,5-dimethyl-4-(4-methylphenoxy)phenyl]-N-hydroxyacetamide;2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetic acid;methyl 2-[3,5-dimethyl-4-(4-methylphenoxy)phenyl]acetate;methyl 2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetate
CID 159371031
3-(3,4-dihydroxyphenyl)-N-methylpropanamide
CID 15132211
3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide
CID 167668022

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide?
The IUPAC name of 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide (CID 123525070) is 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide?
The canonical SMILES for 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide is CNC(=O)CCc1cc(C)c(Oc2ccc(O)cc2)c(C)c1.
What is the InChIKey of 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide?
The InChIKey is VYRJRAYYWFJBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-10-14(4-9-17(21)19-3)11-13(2)18(12)22-16-7-5-15(20)6-8-16/h5-8,10-11,20H,4,9H2,1-3H3,(H,19,21).
What are the key properties of 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide?
3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide has a molecular weight of 299.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide is sourced from PubChem (CID 123525070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).