(4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

C38H42N4O6 — CID 54477879

About (4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

(4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 54477879) has the molecular formula C38H42N4O6 and a molecular weight of 650.78 g/mol. Its IUPAC name is (4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 54477879
• Molecular Formula: C38H42N4O6
• Molecular Weight: 650.78 g/mol
• Exact Mass: 650.31
• IUPAC Name: (4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
• SMILES: COc1ccccc1OCC(=O)N1C[C@H](O)CC1C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2C)CC1
• InChI: InChI=1S/C38H42N4O6/c1-26-9-3-6-12-32(26)40-17-19-41(20-18-40)38(46)31(22-27-15-16-28-10-4-5-11-29(28)21-27)39-37(45)33-23-30(43)24-42(33)36(44)25-48-35-14-8-7-13-34(35)47-2/h3-16,21,30-31,33,43H,17-20,22-25H2,1-2H3,(H,39,45)/t30-,31?,33?/m1/s1
• InChIKey: XMWGNPNSRJGKKS-UYAKCOHLSA-N
• XLogP: 3.57
• TPSA: 111.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	650.78
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (CID 54477879) is (4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is COc1ccccc1OCC(=O)N1C[C@H](O)CC1C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2C)CC1.

What is the InChIKey of (4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is XMWGNPNSRJGKKS-UYAKCOHLSA-N. The full InChI is InChI=1S/C38H42N4O6/c1-26-9-3-6-12-32(26)40-17-19-41(20-18-40)38(46)31(22-27-15-16-28-10-4-5-11-29(28)21-27)39-37(45)33-23-30(43)24-42(33)36(44)25-48-35-14-8-7-13-34(35)47-2/h3-16,21,30-31,33,43H,17-20,22-25H2,1-2H3,(H,39,45)/t30-,31?,33?/m1/s1.

What are the key properties of (4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?

(4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 650.78 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 54477879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).