3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide

C126H131F3N8O18 — CID 161074912

About 3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide

3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 161074912) has the molecular formula C126H131F3N8O18 and a molecular weight of 2102.47 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide
• PubChem CID: 161074912
• Molecular Formula: C126H131F3N8O18
• Molecular Weight: 2102.47 g/mol
• Exact Mass: 2100.95
• IUPAC Name: 3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide
• SMILES: COc1cc(/C=C2/C(C)=C(C(C(=O)NCc3cccn3C)N3CCCC3)c3cc(F)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(C(CC3CC3)C(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(C(CCc3cccnc3)C(=O)NCc3cccn3C)c3cc(F)ccc32)cc(OC)c1O.COc1ccc2c(c1)C(C(C(=O)Cc1ccccc1)N(C)C)=C(C)/C2=C/c1cc(OC)c(O)c(OC)c1
• InChI: InChI=1S/C34H34FN3O4.C31H34FN3O4.C31H33NO5.C30H30FNO5/c1-21-28(15-23-16-30(41-3)33(39)31(17-23)42-4)26-12-10-24(35)18-29(26)32(21)27(11-9-22-7-5-13-36-19-22)34(40)37-20-25-8-6-14-38(25)2;1-19-24(14-20-15-26(38-3)30(36)27(16-20)39-4)23-10-9-21(32)17-25(23)28(19)29(35-12-5-6-13-35)31(37)33-18-22-8-7-11-34(22)2;1-19-24(14-21-16-27(36-5)31(34)28(17-21)37-6)23-13-12-22(35-4)18-25(23)29(19)30(32(2)3)26(33)15-20-10-8-7-9-11-20;1-17-23(12-19-13-26(35-2)29(33)27(14-19)36-3)22-9-8-20(31)15-24(22)28(17)25(11-18-6-7-18)30(34)32-16-21-5-4-10-37-21/h5-8,10,12-19,27,39H,9,11,20H2,1-4H3,(H,37,40);7-11,14-17,29,36H,5-6,12-13,18H2,1-4H3,(H,33,37);7-14,16-18,30,34H,15H2,1-6H3;4-5,8-10,12-15,18,25,33H,6-7,11,16H2,1-3H3,(H,32,34)/b28-15-;2*24-14-;23-12-
• InChIKey: UFDITOQNCXZTQD-SYNVUTJRSA-N
• XLogP: 22.86
• TPSA: 310.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 36
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2102.47
LogP ≤ 5	22.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide?

The IUPAC name of 3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide (CID 161074912) is 3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide.

What is the SMILES notation for 3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide?

The canonical SMILES for 3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide is COc1cc(/C=C2/C(C)=C(C(C(=O)NCc3cccn3C)N3CCCC3)c3cc(F)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(C(CC3CC3)C(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(C(CCc3cccnc3)C(=O)NCc3cccn3C)c3cc(F)ccc32)cc(OC)c1O.COc1ccc2c(c1)C(C(C(=O)Cc1ccccc1)N(C)C)=C(C)/C2=C/c1cc(OC)c(O)c(OC)c1.

What is the InChIKey of 3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide?

The InChIKey is UFDITOQNCXZTQD-SYNVUTJRSA-N. The full InChI is InChI=1S/C34H34FN3O4.C31H34FN3O4.C31H33NO5.C30H30FNO5/c1-21-28(15-23-16-30(41-3)33(39)31(17-23)42-4)26-12-10-24(35)18-29(26)32(21)27(11-9-22-7-5-13-36-19-22)34(40)37-20-25-8-6-14-38(25)2;1-19-24(14-20-15-26(38-3)30(36)27(16-20)39-4)23-10-9-21(32)17-25(23)28(19)29(35-12-5-6-13-35)31(37)33-18-22-8-7-11-34(22)2;1-19-24(14-21-16-27(36-5)31(34)28(17-21)37-6)23-13-12-22(35-4)18-25(23)29(19)30(32(2)3)26(33)15-20-10-8-7-9-11-20;1-17-23(12-19-13-26(35-2)29(33)27(14-19)36-3)22-9-8-20(31)15-24(22)28(17)25(11-18-6-7-18)30(34)32-16-21-5-4-10-37-21/h5-8,10,12-19,27,39H,9,11,20H2,1-4H3,(H,37,40);7-11,14-17,29,36H,5-6,12-13,18H2,1-4H3,(H,33,37);7-14,16-18,30,34H,15H2,1-6H3;4-5,8-10,12-15,18,25,33H,6-7,11,16H2,1-3H3,(H,32,34)/b28-15-;2*24-14-;23-12-.

What are the key properties of 3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide?

3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 2102.47 g/mol, XLogP of 22.86, 36 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)propanamide;1-(dimethylamino)-1-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-3-phenylpropan-2-one;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-3-ylbutanamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 161074912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).