2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide

C21H27NO3 — CID 134249304

IUPAC2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1
InChIInChI=1S/C21H27NO3/c1-13(2)18-10-16(6-7-20(18)23)11-19-14(3)8-17(9-15(19)4)25-12-21(24)22-5/h6-10,13,23H,11-12H2,1-5H3,(H,22,24)
InChIKeyUWVFEENBJKSTRD-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.85
Rot. Bonds6

About 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide

2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide (PubChem CID 134249304) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide
PubChem CID134249304
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1
InChIInChI=1S/C21H27NO3/c1-13(2)18-10-16(6-7-20(18)23)11-19-14(3)8-17(9-15(19)4)25-12-21(24)22-5/h6-10,13,23H,11-12H2,1-5H3,(H,22,24)
InChIKeyUWVFEENBJKSTRD-UHFFFAOYSA-N
XLogP3.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-isopropyl-2-(naphthalen-1-yloxy)acetamide
CID 3661886
5-[4-[2-(methylamino)ethoxy]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 21868918
N-Desmethyldroloxifene
CID 3035880
2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2177231
N-ethyl-2-(naphthalen-1-yloxy)acetamide
CID 2504498
N-ethyl-2-(4-phenylphenoxy)acetamide
CID 2550541
4-[2-[2-(methylamino)ethoxy]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol
CID 90644081
4-[4-[4-[2-(Hexylamino)ethoxy]-3-methylphenyl]heptan-4-yl]-2-methylphenol
CID 145957522
2-Methyl-4-[4-[3-methyl-4-[2-(octylamino)ethoxy]phenyl]heptan-4-yl]phenol
CID 145972690
2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N,N-dimethylacetamide
CID 155534195
2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide
CID 155546145
N-allyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 1566867

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide (CID 134249304) is 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide is CNC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1.
What is the InChIKey of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide?
The InChIKey is UWVFEENBJKSTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-13(2)18-10-16(6-7-20(18)23)11-19-14(3)8-17(9-15(19)4)25-12-21(24)22-5/h6-10,13,23H,11-12H2,1-5H3,(H,22,24).
What are the key properties of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide?
2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide has a molecular weight of 341.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-methylacetamide is sourced from PubChem (CID 134249304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).