2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

C25H24N2O3 — CID 15987516

IUPAC2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1
InChIInChI=1S/C25H24N2O3/c1-4-18-7-10-20(11-8-18)29-15-24(28)26-21-14-19(9-6-17(21)3)25-27-22-13-16(2)5-12-23(22)30-25/h5-14H,4,15H2,1-3H3,(H,26,28)
InChIKeyUYGLKHQCWXTHRJ-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.69
Rot. Bonds6

About 2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 15987516) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID15987516
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1
InChIInChI=1S/C25H24N2O3/c1-4-18-7-10-20(11-8-18)29-15-24(28)26-21-14-19(9-6-17(21)3)25-27-22-13-16(2)5-12-23(22)30-25/h5-14H,4,15H2,1-3H3,(H,26,28)
InChIKeyUYGLKHQCWXTHRJ-UHFFFAOYSA-N
XLogP5.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 15987516) is 2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is CCc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is UYGLKHQCWXTHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-4-18-7-10-20(11-8-18)29-15-24(28)26-21-14-19(9-6-17(21)3)25-27-22-13-16(2)5-12-23(22)30-25/h5-14H,4,15H2,1-3H3,(H,26,28).
What are the key properties of 2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 15987516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).