N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide

C25H26N2O4 — CID 4869285

About N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide

N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide (PubChem CID 4869285) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
• PubChem CID: 4869285
• Molecular Formula: C25H26N2O4
• Molecular Weight: 418.49 g/mol
• Exact Mass: 418.19
• IUPAC Name: N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
• SMILES: Cc1c(CC(=O)NCCCN(C)C)c(=O)oc2cc3occ(-c4ccccc4)c3cc12
• InChI: InChI=1S/C25H26N2O4/c1-16-18-12-20-21(17-8-5-4-6-9-17)15-30-22(20)14-23(18)31-25(29)19(16)13-24(28)26-10-7-11-27(2)3/h4-6,8-9,12,14-15H,7,10-11,13H2,1-3H3,(H,26,28)
• InChIKey: BNAKVKWYUPZUKP-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 75.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.49
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide (CID 4869285) is N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide is Cc1c(CC(=O)NCCCN(C)C)c(=O)oc2cc3occ(-c4ccccc4)c3cc12.

What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide?

The InChIKey is BNAKVKWYUPZUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-16-18-12-20-21(17-8-5-4-6-9-17)15-30-22(20)14-23(18)31-25(29)19(16)13-24(28)26-10-7-11-27(2)3/h4-6,8-9,12,14-15H,7,10-11,13H2,1-3H3,(H,26,28).

What are the key properties of N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide?

N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide has a molecular weight of 418.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide is sourced from PubChem (CID 4869285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).