2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide

C38H63N5O7 — CID 123289203

About 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide

2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide (PubChem CID 123289203) has the molecular formula C38H63N5O7 and a molecular weight of 701.95 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide.

Molecular Properties

• Compound Name: 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide
• PubChem CID: 123289203
• Molecular Formula: C38H63N5O7
• Molecular Weight: 701.95 g/mol
• Exact Mass: 701.47
• IUPAC Name: 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide
• SMILES: COC(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)C(C1CCCC1)N(C)C(=O)C(NC(=O)C(C)(C)N)C(C)C
• InChI: InChI=1S/C38H63N5O7/c1-23(2)31(41-37(48)38(5,6)39)36(47)42(7)32(26-16-13-14-17-26)29(49-8)22-30(44)43-21-15-20-28(43)34(50-9)24(3)35(46)40-25(4)33(45)27-18-11-10-12-19-27/h10-12,18-19,23-26,28-29,31-34,45H,13-17,20-22,39H2,1-9H3,(H,40,46)(H,41,48)
• InChIKey: TUNIXGYOZDZCCC-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 163.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	701.95
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide?

The IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide (CID 123289203) is 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide.

What is the SMILES notation for 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide?

The canonical SMILES for 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide is COC(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)C(C1CCCC1)N(C)C(=O)C(NC(=O)C(C)(C)N)C(C)C.

What is the InChIKey of 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide?

The InChIKey is TUNIXGYOZDZCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H63N5O7/c1-23(2)31(41-37(48)38(5,6)39)36(47)42(7)32(26-16-13-14-17-26)29(49-8)22-30(44)43-21-15-20-28(43)34(50-9)24(3)35(46)40-25(4)33(45)27-18-11-10-12-19-27/h10-12,18-19,23-26,28-29,31-34,45H,13-17,20-22,39H2,1-9H3,(H,40,46)(H,41,48).

What are the key properties of 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide?

2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide has a molecular weight of 701.95 g/mol, XLogP of 3.17, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-cyclopentyl-4-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methoxy-4-oxobutyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 123289203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).