N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide

C25H35F2N3O — CID 73050745

About N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide

N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide (PubChem CID 73050745) has the molecular formula C25H35F2N3O and a molecular weight of 431.57 g/mol. Its IUPAC name is N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide
• PubChem CID: 73050745
• Molecular Formula: C25H35F2N3O
• Molecular Weight: 431.57 g/mol
• Exact Mass: 431.27
• IUPAC Name: N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide
• SMILES: CC(=O)NC(Cc1cc(F)cc(F)c1)C(N)CNC(C)(C)c1cccc(CC(C)C)c1
• InChI: InChI=1S/C25H35F2N3O/c1-16(2)9-18-7-6-8-20(10-18)25(4,5)29-15-23(28)24(30-17(3)31)13-19-11-21(26)14-22(27)12-19/h6-8,10-12,14,16,23-24,29H,9,13,15,28H2,1-5H3,(H,30,31)
• InChIKey: UNIHHEZFLRVRAA-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 67.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.57
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide?

The IUPAC name of N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide (CID 73050745) is N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide.

What is the SMILES notation for N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide?

The canonical SMILES for N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide is CC(=O)NC(Cc1cc(F)cc(F)c1)C(N)CNC(C)(C)c1cccc(CC(C)C)c1.

What is the InChIKey of N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide?

The InChIKey is UNIHHEZFLRVRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F2N3O/c1-16(2)9-18-7-6-8-20(10-18)25(4,5)29-15-23(28)24(30-17(3)31)13-19-11-21(26)14-22(27)12-19/h6-8,10-12,14,16,23-24,29H,9,13,15,28H2,1-5H3,(H,30,31).

What are the key properties of N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide?

N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide has a molecular weight of 431.57 g/mol, XLogP of 4.06, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-1-(3,5-difluorophenyl)-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylamino]butan-2-yl]acetamide is sourced from PubChem (CID 73050745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).