N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide

C50H58N8O7 — CID 90997285

About N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide

N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide (PubChem CID 90997285) has the molecular formula C50H58N8O7 and a molecular weight of 883.06 g/mol. Its IUPAC name is N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide
• PubChem CID: 90997285
• Molecular Formula: C50H58N8O7
• Molecular Weight: 883.06 g/mol
• Exact Mass: 882.44
• IUPAC Name: N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide
• SMILES: O=C(NCCCCCOc1ccc(-c2ccc(-c3cnc(C4CCCN4C(=O)C(NC(=O)N4CCOCC4)c4ccccc4)[nH]3)cc2)cc1)C(NC(=O)N1CCOCC1)c1ccccc1
• InChI: InChI=1S/C50H58N8O7/c59-47(44(39-11-4-1-5-12-39)54-49(61)56-26-31-63-32-27-56)51-24-8-3-9-30-65-41-22-20-37(21-23-41)36-16-18-38(19-17-36)42-35-52-46(53-42)43-15-10-25-58(43)48(60)45(40-13-6-2-7-14-40)55-50(62)57-28-33-64-34-29-57/h1-2,4-7,11-14,16-23,35,43-45H,3,8-10,15,24-34H2,(H,51,59)(H,52,53)(H,54,61)(H,55,62)
• InChIKey: JEWGDRDHBFPVAS-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 170.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.06
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide?

The IUPAC name of N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide (CID 90997285) is N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide?

The canonical SMILES for N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide is O=C(NCCCCCOc1ccc(-c2ccc(-c3cnc(C4CCCN4C(=O)C(NC(=O)N4CCOCC4)c4ccccc4)[nH]3)cc2)cc1)C(NC(=O)N1CCOCC1)c1ccccc1.

What is the InChIKey of N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide?

The InChIKey is JEWGDRDHBFPVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H58N8O7/c59-47(44(39-11-4-1-5-12-39)54-49(61)56-26-31-63-32-27-56)51-24-8-3-9-30-65-41-22-20-37(21-23-41)36-16-18-38(19-17-36)42-35-52-46(53-42)43-15-10-25-58(43)48(60)45(40-13-6-2-7-14-40)55-50(62)57-28-33-64-34-29-57/h1-2,4-7,11-14,16-23,35,43-45H,3,8-10,15,24-34H2,(H,51,59)(H,52,53)(H,54,61)(H,55,62).

What are the key properties of N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide?

N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide has a molecular weight of 883.06 g/mol, XLogP of 6.64, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenoxy]pentylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide is sourced from PubChem (CID 90997285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).