(E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

C32H35N3O4 — CID 58613911

About (E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (PubChem CID 58613911) has the molecular formula C32H35N3O4 and a molecular weight of 525.65 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
• PubChem CID: 58613911
• Molecular Formula: C32H35N3O4
• Molecular Weight: 525.65 g/mol
• Exact Mass: 525.26
• IUPAC Name: (E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
• SMILES: COCCOc1ccc(CN(CCn2ccc3ccccc32)C2CCc3cc(/C=C/C(=O)NO)ccc32)cc1
• InChI: InChI=1S/C32H35N3O4/c1-38-20-21-39-28-11-6-25(7-12-28)23-35(19-18-34-17-16-26-4-2-3-5-30(26)34)31-14-10-27-22-24(8-13-29(27)31)9-15-32(36)33-37/h2-9,11-13,15-17,22,31,37H,10,14,18-21,23H2,1H3,(H,33,36)/b15-9+
• InChIKey: MINMYCWWZIYTFH-OQLLNIDSSA-N
• XLogP: 5.37
• TPSA: 75.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.65
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?

The IUPAC name of (E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (CID 58613911) is (E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

What is the SMILES notation for (E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?

The canonical SMILES for (E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is COCCOc1ccc(CN(CCn2ccc3ccccc32)C2CCc3cc(/C=C/C(=O)NO)ccc32)cc1.

What is the InChIKey of (E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?

The InChIKey is MINMYCWWZIYTFH-OQLLNIDSSA-N. The full InChI is InChI=1S/C32H35N3O4/c1-38-20-21-39-28-11-6-25(7-12-28)23-35(19-18-34-17-16-26-4-2-3-5-30(26)34)31-14-10-27-22-24(8-13-29(27)31)9-15-32(36)33-37/h2-9,11-13,15-17,22,31,37H,10,14,18-21,23H2,1H3,(H,33,36)/b15-9+.

What are the key properties of (E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?

(E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide has a molecular weight of 525.65 g/mol, XLogP of 5.37, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is sourced from PubChem (CID 58613911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).