N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide

C23H31N3O4 — CID 55900315

About N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide

N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 55900315) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
• PubChem CID: 55900315
• Molecular Formula: C23H31N3O4
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.23
• IUPAC Name: N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
• SMILES: Cc1ccc(C(CNC(=O)C(NC(=O)c2ccco2)C(C)C)N2CCOCC2)cc1
• InChI: InChI=1S/C23H31N3O4/c1-16(2)21(25-22(27)20-5-4-12-30-20)23(28)24-15-19(26-10-13-29-14-11-26)18-8-6-17(3)7-9-18/h4-9,12,16,19,21H,10-11,13-15H2,1-3H3,(H,24,28)(H,25,27)
• InChIKey: MOSIQAXYDSMGOS-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 83.81 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	413.52
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide (CID 55900315) is N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide is Cc1ccc(C(CNC(=O)C(NC(=O)c2ccco2)C(C)C)N2CCOCC2)cc1.

What is the InChIKey of N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide?

The InChIKey is MOSIQAXYDSMGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-16(2)21(25-22(27)20-5-4-12-30-20)23(28)24-15-19(26-10-13-29-14-11-26)18-8-6-17(3)7-9-18/h4-9,12,16,19,21H,10-11,13-15H2,1-3H3,(H,24,28)(H,25,27).

What are the key properties of N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide?

N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55900315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).