N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide

C26H25NO4 — CID 4967833

About N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide

N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide (PubChem CID 4967833) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide
• PubChem CID: 4967833
• Molecular Formula: C26H25NO4
• Molecular Weight: 415.49 g/mol
• Exact Mass: 415.18
• IUPAC Name: N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide
• SMILES: Cc1oc2c(C)c3oc(=O)c(CCC(=O)NC4CC4)c(C)c3cc2c1-c1ccccc1
• InChI: InChI=1S/C26H25NO4/c1-14-19(11-12-22(28)27-18-9-10-18)26(29)31-24-15(2)25-21(13-20(14)24)23(16(3)30-25)17-7-5-4-6-8-17/h4-8,13,18H,9-12H2,1-3H3,(H,27,28)
• InChIKey: RISWZYFAGVAJGR-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 72.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide?

The IUPAC name of N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide (CID 4967833) is N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide.

What is the SMILES notation for N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide?

The canonical SMILES for N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide is Cc1oc2c(C)c3oc(=O)c(CCC(=O)NC4CC4)c(C)c3cc2c1-c1ccccc1.

What is the InChIKey of N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide?

The InChIKey is RISWZYFAGVAJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-14-19(11-12-22(28)27-18-9-10-18)26(29)31-24-15(2)25-21(13-20(14)24)23(16(3)30-25)17-7-5-4-6-8-17/h4-8,13,18H,9-12H2,1-3H3,(H,27,28).

What are the key properties of N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide?

N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide has a molecular weight of 415.49 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide is sourced from PubChem (CID 4967833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).