2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide

C29H32N2O3 — CID 17274732

About 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide

2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide (PubChem CID 17274732) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
• PubChem CID: 17274732
• Molecular Formula: C29H32N2O3
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.24
• IUPAC Name: 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
• SMILES: Cc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)ccc3o2)cc1C
• InChI: InChI=1S/C29H32N2O3/c1-18-8-9-20(16-19(18)2)26-31-24-17-22(12-15-25(24)33-26)30-27(32)29(6,7)34-23-13-10-21(11-14-23)28(3,4)5/h8-17H,1-7H3,(H,30,32)
• InChIKey: WNRCOMLPNXPUSX-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?

The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide (CID 17274732) is 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide.

What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?

The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide is Cc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)ccc3o2)cc1C.

What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?

The InChIKey is WNRCOMLPNXPUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-18-8-9-20(16-19(18)2)26-31-24-17-22(12-15-25(24)33-26)30-27(32)29(6,7)34-23-13-10-21(11-14-23)28(3,4)5/h8-17H,1-7H3,(H,30,32).

What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?

2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide has a molecular weight of 456.59 g/mol, XLogP of 7.21, 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-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 17274732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).