N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide

C27H34FN3O2 — CID 3293601

About N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide

N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide (PubChem CID 3293601) has the molecular formula C27H34FN3O2 and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide.

Molecular Properties

• Compound Name: N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide
• PubChem CID: 3293601
• Molecular Formula: C27H34FN3O2
• Molecular Weight: 451.59 g/mol
• Exact Mass: 451.26
• IUPAC Name: N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide
• SMILES: CCCCC(=O)N(CCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1
• InChI: InChI=1S/C27H34FN3O2/c1-3-5-10-26(32)30(16-4-2)20-27(33)31(19-21-11-13-23(28)14-12-21)17-15-22-18-29-25-9-7-6-8-24(22)25/h6-9,11-14,18,29H,3-5,10,15-17,19-20H2,1-2H3
• InChIKey: PPBNAJMCHJKMEL-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 56.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.59
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide?

The IUPAC name of N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide (CID 3293601) is N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide.

What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide?

The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide is CCCCC(=O)N(CCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1.

What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide?

The InChIKey is PPBNAJMCHJKMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O2/c1-3-5-10-26(32)30(16-4-2)20-27(33)31(19-21-11-13-23(28)14-12-21)17-15-22-18-29-25-9-7-6-8-24(22)25/h6-9,11-14,18,29H,3-5,10,15-17,19-20H2,1-2H3.

What are the key properties of N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide?

N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide has a molecular weight of 451.59 g/mol, XLogP of 5.31, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide is sourced from PubChem (CID 3293601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).