[1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C35H45N5O5 — CID 11996601

About [1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 11996601) has the molecular formula C35H45N5O5 and a molecular weight of 615.78 g/mol. Its IUPAC name is [1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: [1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 11996601
• Molecular Formula: C35H45N5O5
• Molecular Weight: 615.78 g/mol
• Exact Mass: 615.34
• IUPAC Name: [1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: COc1ccc(CNCCCN2CCN(CCCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)C2=O)cc1O
• InChI: InChI=1S/C35H45N5O5/c1-44-33-14-13-27(25-32(33)41)26-36-17-7-19-39-23-24-40(35(39)43)20-8-18-38-21-15-29(16-22-38)45-34(42)37-31-12-6-5-11-30(31)28-9-3-2-4-10-28/h2-6,9-14,25,29,36,41H,7-8,15-24,26H2,1H3,(H,37,42)
• InChIKey: AHKMWFBWLSEXDD-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 106.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.78
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of [1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 11996601) is [1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for [1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for [1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is COc1ccc(CNCCCN2CCN(CCCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)C2=O)cc1O.

What is the InChIKey of [1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is AHKMWFBWLSEXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N5O5/c1-44-33-14-13-27(25-32(33)41)26-36-17-7-19-39-23-24-40(35(39)43)20-8-18-38-21-15-29(16-22-38)45-34(42)37-31-12-6-5-11-30(31)28-9-3-2-4-10-28/h2-6,9-14,25,29,36,41H,7-8,15-24,26H2,1H3,(H,37,42).

What are the key properties of [1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

[1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 615.78 g/mol, XLogP of 5.39, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 11996601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).