4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide

C21H33N3O4 — CID 17473370

About 4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide

4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide (PubChem CID 17473370) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide
• PubChem CID: 17473370
• Molecular Formula: C21H33N3O4
• Molecular Weight: 391.51 g/mol
• Exact Mass: 391.25
• IUPAC Name: 4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide
• SMILES: COc1ccc(C(=O)NC(C(=O)NCC(C)(C)N2CCOCC2)C(C)C)cc1
• InChI: InChI=1S/C21H33N3O4/c1-15(2)18(23-19(25)16-6-8-17(27-5)9-7-16)20(26)22-14-21(3,4)24-10-12-28-13-11-24/h6-9,15,18H,10-14H2,1-5H3,(H,22,26)(H,23,25)
• InChIKey: ACNMXUARTVTFPU-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.51
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide?

The IUPAC name of 4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide (CID 17473370) is 4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide is COc1ccc(C(=O)NC(C(=O)NCC(C)(C)N2CCOCC2)C(C)C)cc1.

What is the InChIKey of 4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide?

The InChIKey is ACNMXUARTVTFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-15(2)18(23-19(25)16-6-8-17(27-5)9-7-16)20(26)22-14-21(3,4)24-10-12-28-13-11-24/h6-9,15,18H,10-14H2,1-5H3,(H,22,26)(H,23,25).

What are the key properties of 4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide?

4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 391.51 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 17473370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).