(2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide)

C166H192N24O6 — CID 167540048

About (2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide)

(2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide) (PubChem CID 167540048) has the molecular formula C166H192N24O6 and a molecular weight of 2619.52 g/mol. Its IUPAC name is (2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide).

Molecular Properties

• Compound Name: (2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide)
• PubChem CID: 167540048
• Molecular Formula: C166H192N24O6
• Molecular Weight: 2619.52 g/mol
• Exact Mass: 2617.55
• IUPAC Name: (2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide)
• SMILES: Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-n3cnc(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-n3cnc(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2)cc1
• InChI: InChI=1S/4C28H34N4O.2C27H28N4O/c4*1-22-8-10-23(11-9-22)16-17-29-27(24-6-4-3-5-7-24)28(33)30-25-12-14-26(15-13-25)32-20-18-31(2)19-21-32;2*1-20-8-10-22(11-9-20)16-17-28-26(23-6-4-3-5-7-23)27(32)30-24-12-14-25(15-13-24)31-18-21(2)29-19-31/h4*3-15,27,29H,16-21H2,1-2H3,(H,30,33);2*3-15,18-19,26,28H,16-17H2,1-2H3,(H,30,32)/t4*27-;2*26-/m110010/s1
• InChIKey: BBHRNSFAAYSXOS-CLPQOQBVSA-N
• XLogP: 27.04
• TPSA: 308.34 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 48
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2619.52
LogP ≤ 5	27.04
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide)?

The IUPAC name of (2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide) (CID 167540048) is (2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide).

What is the SMILES notation for (2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide)?

The canonical SMILES for (2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide) is Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-n3cnc(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-n3cnc(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2)cc1.

What is the InChIKey of (2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide)?

The InChIKey is BBHRNSFAAYSXOS-CLPQOQBVSA-N. The full InChI is InChI=1S/4C28H34N4O.2C27H28N4O/c4*1-22-8-10-23(11-9-22)16-17-29-27(24-6-4-3-5-7-24)28(33)30-25-12-14-26(15-13-25)32-20-18-31(2)19-21-32;2*1-20-8-10-22(11-9-20)16-17-28-26(23-6-4-3-5-7-23)27(32)30-24-12-14-25(15-13-24)31-18-21(2)29-19-31/h4*3-15,27,29H,16-21H2,1-2H3,(H,30,33);2*3-15,18-19,26,28H,16-17H2,1-2H3,(H,30,32)/t4*27-;2*26-/m110010/s1.

What are the key properties of (2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide)?

(2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide) has a molecular weight of 2619.52 g/mol, XLogP of 27.04, 48 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide) is sourced from PubChem (CID 167540048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).