N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide

C66H66N4O10 — CID 46211303

About N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide

N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide (PubChem CID 46211303) has the molecular formula C66H66N4O10 and a molecular weight of 1075.27 g/mol. Its IUPAC name is N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide
• PubChem CID: 46211303
• Molecular Formula: C66H66N4O10
• Molecular Weight: 1075.27 g/mol
• Exact Mass: 1074.48
• IUPAC Name: N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide
• SMILES: O=C(N[C@H](Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1)c1cccc(OCc2ccccc2)c1OCc1ccccc1
• InChI: InChI=1S/C66H66N4O10/c71-63(55-33-19-35-59(77-45-51-25-11-3-12-26-51)61(55)79-47-53-29-15-5-16-30-53)69-57(43-49-21-7-1-8-22-49)65(73)67-37-39-75-41-42-76-40-38-68-66(74)58(44-50-23-9-2-10-24-50)70-64(72)56-34-20-36-60(78-46-52-27-13-4-14-28-52)62(56)80-48-54-31-17-6-18-32-54/h1-36,57-58H,37-48H2,(H,67,73)(H,68,74)(H,69,71)(H,70,72)/t57-,58-/m1/s1
• InChIKey: ZTFIGGRXBJSTQJ-YZCGSYMESA-N
• XLogP: 9.65
• TPSA: 171.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 31
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1075.27
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide?

The IUPAC name of N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide (CID 46211303) is N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide.

What is the SMILES notation for N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide?

The canonical SMILES for N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide is O=C(N[C@H](Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1)c1cccc(OCc2ccccc2)c1OCc1ccccc1.

What is the InChIKey of N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide?

The InChIKey is ZTFIGGRXBJSTQJ-YZCGSYMESA-N. The full InChI is InChI=1S/C66H66N4O10/c71-63(55-33-19-35-59(77-45-51-25-11-3-12-26-51)61(55)79-47-53-29-15-5-16-30-53)69-57(43-49-21-7-1-8-22-49)65(73)67-37-39-75-41-42-76-40-38-68-66(74)58(44-50-23-9-2-10-24-50)70-64(72)56-34-20-36-60(78-46-52-27-13-4-14-28-52)62(56)80-48-54-31-17-6-18-32-54/h1-36,57-58H,37-48H2,(H,67,73)(H,68,74)(H,69,71)(H,70,72)/t57-,58-/m1/s1.

What are the key properties of N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide?

N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide has a molecular weight of 1075.27 g/mol, XLogP of 9.65, 31 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide is sourced from PubChem (CID 46211303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).