4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide

C20H21N3O4 — CID 38467290

About 4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide

4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide (PubChem CID 38467290) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
• PubChem CID: 38467290
• Molecular Formula: C20H21N3O4
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.15
• IUPAC Name: 4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
• SMILES: CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1
• InChI: InChI=1S/C20H21N3O4/c1-20(2,3)13-6-4-12(5-7-13)18(25)21-11-17(24)22-14-8-9-16-15(10-14)23-19(26)27-16/h4-10H,11H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
• InChIKey: RDWHCJKUUQPQNZ-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 104.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide?

The IUPAC name of 4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide (CID 38467290) is 4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide.

What is the SMILES notation for 4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide?

The canonical SMILES for 4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1.

What is the InChIKey of 4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide?

The InChIKey is RDWHCJKUUQPQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-20(2,3)13-6-4-12(5-7-13)18(25)21-11-17(24)22-14-8-9-16-15(10-14)23-19(26)27-16/h4-10H,11H2,1-3H3,(H,21,25)(H,22,24)(H,23,26).

What are the key properties of 4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide?

4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide is sourced from PubChem (CID 38467290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).