[2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate

C37H44ClN3O5 — CID 167455552

About [2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate

[2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate (PubChem CID 167455552) has the molecular formula C37H44ClN3O5 and a molecular weight of 646.23 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate.

Molecular Properties

• Compound Name: [2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate
• PubChem CID: 167455552
• Molecular Formula: C37H44ClN3O5
• Molecular Weight: 646.23 g/mol
• Exact Mass: 645.30
• IUPAC Name: [2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate
• SMILES: CC(C)(c1cccc(Cl)c1)C(OC(=O)NC(CC1CCCCC1)C(=O)NC(C=O)CC1CCNC1=O)c1ccc2ccccc2c1
• InChI: InChI=1S/C37H44ClN3O5/c1-37(2,29-13-8-14-30(38)22-29)33(27-16-15-25-11-6-7-12-26(25)20-27)46-36(45)41-32(19-24-9-4-3-5-10-24)35(44)40-31(23-42)21-28-17-18-39-34(28)43/h6-8,11-16,20,22-24,28,31-33H,3-5,9-10,17-19,21H2,1-2H3,(H,39,43)(H,40,44)(H,41,45)
• InChIKey: JMGOXPWHMRODRK-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 113.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.23
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate?

The IUPAC name of [2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate (CID 167455552) is [2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate.

What is the SMILES notation for [2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate?

The canonical SMILES for [2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate is CC(C)(c1cccc(Cl)c1)C(OC(=O)NC(CC1CCCCC1)C(=O)NC(C=O)CC1CCNC1=O)c1ccc2ccccc2c1.

What is the InChIKey of [2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate?

The InChIKey is JMGOXPWHMRODRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44ClN3O5/c1-37(2,29-13-8-14-30(38)22-29)33(27-16-15-25-11-6-7-12-26(25)20-27)46-36(45)41-32(19-24-9-4-3-5-10-24)35(44)40-31(23-42)21-28-17-18-39-34(28)43/h6-8,11-16,20,22-24,28,31-33H,3-5,9-10,17-19,21H2,1-2H3,(H,39,43)(H,40,44)(H,41,45).

What are the key properties of [2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate?

[2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate has a molecular weight of 646.23 g/mol, XLogP of 6.79, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3-chlorophenyl)-2-methyl-1-naphthalen-2-ylpropyl] N-[3-cyclohexyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]carbamate is sourced from PubChem (CID 167455552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).