N-[2-[2-[5-[4-[4-[[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]cyclohexyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide

C50H61N9O7 — CID 75185014

About N-[2-[2-[5-[4-[4-[[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]cyclohexyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide

N-[2-[2-[5-[4-[4-[[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]cyclohexyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide (PubChem CID 75185014) has the molecular formula C50H61N9O7 and a molecular weight of 900.09 g/mol. Its IUPAC name is N-[2-[2-[5-[4-[4-[[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]cyclohexyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[5-[4-[4-[[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]cyclohexyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide
• PubChem CID: 75185014
• Molecular Formula: C50H61N9O7
• Molecular Weight: 900.09 g/mol
• Exact Mass: 899.47
• IUPAC Name: N-[2-[2-[5-[4-[4-[[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]cyclohexyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide
• SMILES: O=C(NC1CCC(c2ccc(-c3cnc(C4CCCN4C(=O)C(NC(=O)N4CCOCC4)c4ccccc4)[nH]3)cc2)CC1)C1CCCN1C(=O)C(NC(=O)N1CCOCC1)c1ccccc1
• InChI: InChI=1S/C50H61N9O7/c60-46(42-14-8-24-59(42)48(62)44(38-11-5-2-6-12-38)55-50(64)57-27-31-66-32-28-57)52-39-21-19-35(20-22-39)34-15-17-36(18-16-34)40-33-51-45(53-40)41-13-7-23-58(41)47(61)43(37-9-3-1-4-10-37)54-49(63)56-25-29-65-30-26-56/h1-6,9-12,15-18,33,35,39,41-44H,7-8,13-14,19-32H2,(H,51,53)(H,52,60)(H,54,63)(H,55,64)
• InChIKey: YUADZXWFMDXGQV-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 181.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.09
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-[2-[5-[4-[4-[[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]cyclohexyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide (CID 75185014) is N-[2-[2-[5-[4-[4-[[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]cyclohexyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide.

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

The canonical SMILES for N-[2-[2-[5-[4-[4-[[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]cyclohexyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide is O=C(NC1CCC(c2ccc(-c3cnc(C4CCCN4C(=O)C(NC(=O)N4CCOCC4)c4ccccc4)[nH]3)cc2)CC1)C1CCCN1C(=O)C(NC(=O)N1CCOCC1)c1ccccc1.

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

The InChIKey is YUADZXWFMDXGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H61N9O7/c60-46(42-14-8-24-59(42)48(62)44(38-11-5-2-6-12-38)55-50(64)57-27-31-66-32-28-57)52-39-21-19-35(20-22-39)34-15-17-36(18-16-34)40-33-51-45(53-40)41-13-7-23-58(41)47(61)43(37-9-3-1-4-10-37)54-49(63)56-25-29-65-30-26-56/h1-6,9-12,15-18,33,35,39,41-44H,7-8,13-14,19-32H2,(H,51,53)(H,52,60)(H,54,63)(H,55,64).

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

N-[2-[2-[5-[4-[4-[[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]cyclohexyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide has a molecular weight of 900.09 g/mol, XLogP of 5.44, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[5-[4-[4-[[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]cyclohexyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide is sourced from PubChem (CID 75185014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).