ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide

C20H27NO3 — CID 144504805

IUPACethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide
SMILESCC.CCNC(=O)Cc1cc(C)c(Oc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C18H21NO3.C2H6/c1-4-19-17(21)11-14-9-12(2)18(13(3)10-14)22-16-7-5-15(20)6-8-16;1-2/h5-10,20H,4,11H2,1-3H3,(H,19,21);1-2H3
InChIKeyANJGKCSTNHYHHN-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.51
Rot. Bonds5

About ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide

ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide (PubChem CID 144504805) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide.

Molecular Properties

Compound Nameethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide
PubChem CID144504805
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Nameethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide
SMILESCC.CCNC(=O)Cc1cc(C)c(Oc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C18H21NO3.C2H6/c1-4-19-17(21)11-14-9-12(2)18(13(3)10-14)22-16-7-5-15(20)6-8-16;1-2/h5-10,20H,4,11H2,1-3H3,(H,19,21);1-2H3
InChIKeyANJGKCSTNHYHHN-UHFFFAOYSA-N
XLogP4.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide?
The IUPAC name of ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide (CID 144504805) is ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide.
What is the SMILES notation for ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide?
The canonical SMILES for ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide is CC.CCNC(=O)Cc1cc(C)c(Oc2ccc(O)cc2)c(C)c1.
What is the InChIKey of ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide?
The InChIKey is ANJGKCSTNHYHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3.C2H6/c1-4-19-17(21)11-14-9-12(2)18(13(3)10-14)22-16-7-5-15(20)6-8-16;1-2/h5-10,20H,4,11H2,1-3H3,(H,19,21);1-2H3.
What are the key properties of ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide?
ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide has a molecular weight of 329.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide is sourced from PubChem (CID 144504805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).