N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

C27H31N3O3 — CID 56564897

About N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (PubChem CID 56564897) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
• PubChem CID: 56564897
• Molecular Formula: C27H31N3O3
• Molecular Weight: 445.56 g/mol
• Exact Mass: 445.24
• IUPAC Name: N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
• SMILES: CC1CN(c2ccc(NC(=O)c3ccoc3CN3c4ccccc4CC3C)cc2)CC(C)O1
• InChI: InChI=1S/C27H31N3O3/c1-18-14-21-6-4-5-7-25(21)30(18)17-26-24(12-13-32-26)27(31)28-22-8-10-23(11-9-22)29-15-19(2)33-20(3)16-29/h4-13,18-20H,14-17H2,1-3H3,(H,28,31)
• InChIKey: SXDNIHUNSYYTAY-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 57.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.56
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (CID 56564897) is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.

What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is CC1CN(c2ccc(NC(=O)c3ccoc3CN3c4ccccc4CC3C)cc2)CC(C)O1.

What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The InChIKey is SXDNIHUNSYYTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-18-14-21-6-4-5-7-25(21)30(18)17-26-24(12-13-32-26)27(31)28-22-8-10-23(11-9-22)29-15-19(2)33-20(3)16-29/h4-13,18-20H,14-17H2,1-3H3,(H,28,31).

What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 56564897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).