3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane

C39H67N5O7 — CID 144940666

About 3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane

3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane (PubChem CID 144940666) has the molecular formula C39H67N5O7 and a molecular weight of 717.99 g/mol. Its IUPAC name is 3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane.

Molecular Properties

• Compound Name: 3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane
• PubChem CID: 144940666
• Molecular Formula: C39H67N5O7
• Molecular Weight: 717.99 g/mol
• Exact Mass: 717.50
• IUPAC Name: 3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane
• SMILES: CCC.COC(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)C(C1CCCCC1)N(C)C(=O)CNC(=O)C(C)(C)N
• InChI: InChI=1S/C36H59N5O7.C3H8/c1-23(34(45)39-24(2)32(44)26-17-12-9-13-18-26)33(48-7)27-19-14-20-41(27)29(42)21-28(47-6)31(25-15-10-8-11-16-25)40(5)30(43)22-38-35(46)36(3,4)37;1-3-2/h9,12-13,17-18,23-25,27-28,31-33,44H,8,10-11,14-16,19-22,37H2,1-7H3,(H,38,46)(H,39,45);3H2,1-2H3
• InChIKey: YGXAOSLRKQNBMZ-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 163.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	717.99
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane?

The IUPAC name of 3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane (CID 144940666) is 3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane.

What is the SMILES notation for 3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane?

The canonical SMILES for 3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane is CCC.COC(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)C(C1CCCCC1)N(C)C(=O)CNC(=O)C(C)(C)N.

What is the InChIKey of 3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane?

The InChIKey is YGXAOSLRKQNBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H59N5O7.C3H8/c1-23(34(45)39-24(2)32(44)26-17-12-9-13-18-26)33(48-7)27-19-14-20-41(27)29(42)21-28(47-6)31(25-15-10-8-11-16-25)40(5)30(43)22-38-35(46)36(3,4)37;1-3-2/h9,12-13,17-18,23-25,27-28,31-33,44H,8,10-11,14-16,19-22,37H2,1-7H3,(H,38,46)(H,39,45);3H2,1-2H3.

What are the key properties of 3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane?

3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane has a molecular weight of 717.99 g/mol, XLogP of 3.95, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-4-cyclohexyl-3-methoxybutanoyl]pyrrolidin-2-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-3-methoxy-2-methylpropanamide;propane is sourced from PubChem (CID 144940666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).