(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide

C27H28FNO3 — CID 59568784

IUPAC(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide
SMILESCO[C@H](C[C@H](C/C=C/C(c1ccccc1)c1ccccc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C27H28FNO3/c1-32-26(22-15-17-24(28)18-16-22)19-23(27(30)29-31)13-8-14-25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-12,14-18,23,25-26,31H,13,19H2,1H3,(H,29,30)/b14-8+/t23-,26+/m0/s1
InChIKeyJYYOYMJQYVRMJJ-DDINODHBSA-N
MW433.52 g/mol
LogP5.80
Rot. Bonds10

About (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide

(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide (PubChem CID 59568784) has the molecular formula C27H28FNO3 and a molecular weight of 433.52 g/mol. Its IUPAC name is (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide.

Molecular Properties

Compound Name(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide
PubChem CID59568784
Molecular FormulaC27H28FNO3
Molecular Weight433.52 g/mol
Exact Mass433.21
IUPAC Name(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide
SMILESCO[C@H](C[C@H](C/C=C/C(c1ccccc1)c1ccccc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C27H28FNO3/c1-32-26(22-15-17-24(28)18-16-22)19-23(27(30)29-31)13-8-14-25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-12,14-18,23,25-26,31H,13,19H2,1H3,(H,29,30)/b14-8+/t23-,26+/m0/s1
InChIKeyJYYOYMJQYVRMJJ-DDINODHBSA-N
XLogP5.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide?
The IUPAC name of (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide (CID 59568784) is (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide.
What is the SMILES notation for (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide?
The canonical SMILES for (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide is CO[C@H](C[C@H](C/C=C/C(c1ccccc1)c1ccccc1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide?
The InChIKey is JYYOYMJQYVRMJJ-DDINODHBSA-N. The full InChI is InChI=1S/C27H28FNO3/c1-32-26(22-15-17-24(28)18-16-22)19-23(27(30)29-31)13-8-14-25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-12,14-18,23,25-26,31H,13,19H2,1H3,(H,29,30)/b14-8+/t23-,26+/m0/s1.
What are the key properties of (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide?
(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide has a molecular weight of 433.52 g/mol, XLogP of 5.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide is sourced from PubChem (CID 59568784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).