N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide

C128H128F4N12O17 — CID 158478610

About N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide

N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 158478610) has the molecular formula C128H128F4N12O17 and a molecular weight of 2182.49 g/mol. Its IUPAC name is N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 158478610
• Molecular Formula: C128H128F4N12O17
• Molecular Weight: 2182.49 g/mol
• Exact Mass: 2180.95
• IUPAC Name: N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide
• SMILES: COc1cc(/C=C2/C(C)=C(C(CCc3ncc[nH]3)C(=O)NCc3cccnc3)c3cc(F)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(C(CCc3ncco3)C(=O)NCc3ccccc3)c3cc(F)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(C(NC3CC3)C(=O)NCc3ccccc3)c3cc(F)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(C(NC3CCN(C)C3)C(=O)NCc3cccnc3)c3cc(F)ccc32)cc(OC)c1O
• InChI: InChI=1S/C33H31FN2O5.C32H35FN4O4.C32H31FN4O4.C31H31FN2O4/c1-20-26(15-22-16-28(39-2)32(37)29(17-22)40-3)24-10-9-23(34)18-27(24)31(20)25(11-12-30-35-13-14-41-30)33(38)36-19-21-7-5-4-6-8-21;1-19-25(12-21-13-27(40-3)31(38)28(14-21)41-4)24-8-7-22(33)15-26(24)29(19)30(36-23-9-11-37(2)18-23)32(39)35-17-20-6-5-10-34-16-20;1-19-25(13-21-14-27(40-2)31(38)28(15-21)41-3)23-7-6-22(33)16-26(23)30(19)24(8-9-29-35-11-12-36-29)32(39)37-18-20-5-4-10-34-17-20;1-18-24(13-20-14-26(37-2)30(35)27(15-20)38-3)23-12-9-21(32)16-25(23)28(18)29(34-22-10-11-22)31(36)33-17-19-7-5-4-6-8-19/h4-10,13-18,25,37H,11-12,19H2,1-3H3,(H,36,38);5-8,10,12-16,23,30,36,38H,9,11,17-18H2,1-4H3,(H,35,39);4-7,10-17,24,38H,8-9,18H2,1-3H3,(H,35,36)(H,37,39);4-9,12-16,22,29,34-35H,10-11,17H2,1-3H3,(H,33,36)/b26-15-;25-12-;25-13-;24-13-
• InChIKey: HHFZWQJQAOEKTJ-YZQGBDDYSA-N
• XLogP: 21.55
• TPSA: 378.95 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 38
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2182.49
LogP ≤ 5	21.55
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide (CID 158478610) is N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide is COc1cc(/C=C2/C(C)=C(C(CCc3ncc[nH]3)C(=O)NCc3cccnc3)c3cc(F)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(C(CCc3ncco3)C(=O)NCc3ccccc3)c3cc(F)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(C(NC3CC3)C(=O)NCc3ccccc3)c3cc(F)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(C(NC3CCN(C)C3)C(=O)NCc3cccnc3)c3cc(F)ccc32)cc(OC)c1O.

What is the InChIKey of N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is HHFZWQJQAOEKTJ-YZQGBDDYSA-N. The full InChI is InChI=1S/C33H31FN2O5.C32H35FN4O4.C32H31FN4O4.C31H31FN2O4/c1-20-26(15-22-16-28(39-2)32(37)29(17-22)40-3)24-10-9-23(34)18-27(24)31(20)25(11-12-30-35-13-14-41-30)33(38)36-19-21-7-5-4-6-8-21;1-19-25(12-21-13-27(40-3)31(38)28(14-21)41-4)24-8-7-22(33)15-26(24)29(19)30(36-23-9-11-37(2)18-23)32(39)35-17-20-6-5-10-34-16-20;1-19-25(13-21-14-27(40-2)31(38)28(15-21)41-3)23-7-6-22(33)16-26(23)30(19)24(8-9-29-35-11-12-36-29)32(39)37-18-20-5-4-10-34-17-20;1-18-24(13-20-14-26(37-2)30(35)27(15-20)38-3)23-12-9-21(32)16-25(23)28(18)29(34-22-10-11-22)31(36)33-17-19-7-5-4-6-8-19/h4-10,13-18,25,37H,11-12,19H2,1-3H3,(H,36,38);5-8,10,12-16,23,30,36,38H,9,11,17-18H2,1-4H3,(H,35,39);4-7,10-17,24,38H,8-9,18H2,1-3H3,(H,35,36)(H,37,39);4-9,12-16,22,29,34-35H,10-11,17H2,1-3H3,(H,33,36)/b26-15-;25-12-;25-13-;24-13-.

What are the key properties of N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide?

N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 2182.49 g/mol, XLogP of 21.55, 38 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-(cyclopropylamino)-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetamide;N-benzyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1,3-oxazol-2-yl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-4-(1H-imidazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-2-[(1-methylpyrrolidin-3-yl)amino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 158478610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).