N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide

C34H32FN3O4 — CID 4624608

About N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide

N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide (PubChem CID 4624608) has the molecular formula C34H32FN3O4 and a molecular weight of 565.65 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide
• PubChem CID: 4624608
• Molecular Formula: C34H32FN3O4
• Molecular Weight: 565.65 g/mol
• Exact Mass: 565.24
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide
• SMILES: CC(C)CN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)Nc1cccc2ccccc12
• InChI: InChI=1S/C34H32FN3O4/c1-23(2)18-38(34(41)36-30-12-7-9-25-8-3-4-10-28(25)30)21-32(39)37(19-24-14-16-27(35)17-15-24)20-26-22-42-31-13-6-5-11-29(31)33(26)40/h3-17,22-23H,18-21H2,1-2H3,(H,36,41)
• InChIKey: FQHQGRCQUYFERU-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 82.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.65
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide (CID 4624608) is N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide is CC(C)CN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)Nc1cccc2ccccc12.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide?

The InChIKey is FQHQGRCQUYFERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN3O4/c1-23(2)18-38(34(41)36-30-12-7-9-25-8-3-4-10-28(25)30)21-32(39)37(19-24-14-16-27(35)17-15-24)20-26-22-42-31-13-6-5-11-29(31)33(26)40/h3-17,22-23H,18-21H2,1-2H3,(H,36,41).

What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide?

N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide has a molecular weight of 565.65 g/mol, XLogP of 6.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]-N-[(4-oxochromen-3-yl)methyl]acetamide is sourced from PubChem (CID 4624608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).