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

C23H35N3O4 — CID 55642245

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

3-methyl-N-[3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]benzamide (PubChem CID 55642245) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-[3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]benzamide
• PubChem CID: 55642245
• Molecular Formula: C23H35N3O4
• Molecular Weight: 417.55 g/mol
• Exact Mass: 417.26
• IUPAC Name: 3-methyl-N-[3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]benzamide
• SMILES: Cc1cccc(C(=O)NC(C(=O)NCC(C2CCOC2)N2CCOCC2)C(C)C)c1
• InChI: InChI=1S/C23H35N3O4/c1-16(2)21(25-22(27)18-6-4-5-17(3)13-18)23(28)24-14-20(19-7-10-30-15-19)26-8-11-29-12-9-26/h4-6,13,16,19-21H,7-12,14-15H2,1-3H3,(H,24,28)(H,25,27)
• InChIKey: VQMZAXNSHJNVNT-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.55
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]benzamide (CID 55642245) is 3-methyl-N-[3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]benzamide.

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

The canonical SMILES for 3-methyl-N-[3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]benzamide is Cc1cccc(C(=O)NC(C(=O)NCC(C2CCOC2)N2CCOCC2)C(C)C)c1.

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

The InChIKey is VQMZAXNSHJNVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-16(2)21(25-22(27)18-6-4-5-17(3)13-18)23(28)24-14-20(19-7-10-30-15-19)26-8-11-29-12-9-26/h4-6,13,16,19-21H,7-12,14-15H2,1-3H3,(H,24,28)(H,25,27).

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

3-methyl-N-[3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 417.55 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55642245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).