2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide

C27H28N2O3 — CID 3421834

About 2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide

2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 3421834) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
• PubChem CID: 3421834
• Molecular Formula: C27H28N2O3
• Molecular Weight: 428.53 g/mol
• Exact Mass: 428.21
• IUPAC Name: 2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
• SMILES: Cc1cc2nc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)oc2cc1C
• InChI: InChI=1S/C27H28N2O3/c1-17-13-23-24(14-18(17)2)32-26(29-23)19-7-6-8-21(15-19)28-25(30)16-31-22-11-9-20(10-12-22)27(3,4)5/h6-15H,16H2,1-5H3,(H,28,30)
• InChIKey: YKWYPIDSFHKJIQ-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.53
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide?

The IUPAC name of 2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 3421834) is 2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide?

The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide is Cc1cc2nc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)oc2cc1C.

What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide?

The InChIKey is YKWYPIDSFHKJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-17-13-23-24(14-18(17)2)32-26(29-23)19-7-6-8-21(15-19)28-25(30)16-31-22-11-9-20(10-12-22)27(3,4)5/h6-15H,16H2,1-5H3,(H,28,30).

What are the key properties of 2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide?

2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 428.53 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 3421834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).