3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide

C24H29N3O5 — CID 55620274

About 3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide

3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide (PubChem CID 55620274) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
• PubChem CID: 55620274
• Molecular Formula: C24H29N3O5
• Molecular Weight: 439.51 g/mol
• Exact Mass: 439.21
• IUPAC Name: 3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
• SMILES: COc1cc(OC)cc(C(=O)NC(C(=O)Nc2ccc3oc(C(C)C)nc3c2)C(C)C)c1
• InChI: InChI=1S/C24H29N3O5/c1-13(2)21(27-22(28)15-9-17(30-5)12-18(10-15)31-6)23(29)25-16-7-8-20-19(11-16)26-24(32-20)14(3)4/h7-14,21H,1-6H3,(H,25,29)(H,27,28)
• InChIKey: RCSZEFOPQXVLTJ-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 102.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.51
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide?

The IUPAC name of 3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide (CID 55620274) is 3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide.

What is the SMILES notation for 3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide?

The canonical SMILES for 3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide is COc1cc(OC)cc(C(=O)NC(C(=O)Nc2ccc3oc(C(C)C)nc3c2)C(C)C)c1.

What is the InChIKey of 3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide?

The InChIKey is RCSZEFOPQXVLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-13(2)21(27-22(28)15-9-17(30-5)12-18(10-15)31-6)23(29)25-16-7-8-20-19(11-16)26-24(32-20)14(3)4/h7-14,21H,1-6H3,(H,25,29)(H,27,28).

What are the key properties of 3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide?

3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide has a molecular weight of 439.51 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide is sourced from PubChem (CID 55620274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).