(3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+)

C34H32N4O3U — CID 169174805

About (3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+)

(3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+) (PubChem CID 169174805) has the molecular formula C34H32N4O3U and a molecular weight of 782.68 g/mol. Its IUPAC name is (3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+).

Molecular Properties

• Compound Name: (3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+)
• PubChem CID: 169174805
• Molecular Formula: C34H32N4O3U
• Molecular Weight: 782.68 g/mol
• Exact Mass: 782.30
• IUPAC Name: (3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+)
• SMILES: [CH2-]Cc1[c-]ccc(CNC(=O)c2c(C)[nH]c(/C=C3\C(=O)Nc4ccc(C(=O)N[C@H](C)c5ccccc5)cc43)c2C)c1.[U+2]
• InChI: InChI=1S/C34H32N4O3.U/c1-5-23-10-9-11-24(16-23)19-35-34(41)31-20(2)30(36-22(31)4)18-28-27-17-26(14-15-29(27)38-33(28)40)32(39)37-21(3)25-12-7-6-8-13-25;/h6-9,11-18,21,36H,1,5,19H2,2-4H3,(H,35,41)(H,37,39)(H,38,40);/q-2;+2/b28-18-;/t21-;/m1./s1
• InChIKey: HDRICOOBFYPEDK-MFQYSMCISA-N
• XLogP: 5.72
• TPSA: 103.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.68
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+)?

The IUPAC name of (3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+) (CID 169174805) is (3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+).

What is the SMILES notation for (3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+)?

The canonical SMILES for (3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+) is [CH2-]Cc1[c-]ccc(CNC(=O)c2c(C)[nH]c(/C=C3\C(=O)Nc4ccc(C(=O)N[C@H](C)c5ccccc5)cc43)c2C)c1.[U+2].

What is the InChIKey of (3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+)?

The InChIKey is HDRICOOBFYPEDK-MFQYSMCISA-N. The full InChI is InChI=1S/C34H32N4O3.U/c1-5-23-10-9-11-24(16-23)19-35-34(41)31-20(2)30(36-22(31)4)18-28-27-17-26(14-15-29(27)38-33(28)40)32(39)37-21(3)25-12-7-6-8-13-25;/h6-9,11-18,21,36H,1,5,19H2,2-4H3,(H,35,41)(H,37,39)(H,38,40);/q-2;+2/b28-18-;/t21-;/m1./s1.

What are the key properties of (3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+)?

(3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+) has a molecular weight of 782.68 g/mol, XLogP of 5.72, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-3-[[4-[(3-ethylbenzene-4-id-1-yl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide;uranium(2+) is sourced from PubChem (CID 169174805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).