(2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide

C23H30F2N2O3 — CID 25164605

IUPAC(2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide
SMILESCO[C@H](C[C@H](CCCCNCCc1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C23H30F2N2O3/c1-30-22(18-7-11-21(25)12-8-18)16-19(23(28)27-29)4-2-3-14-26-15-13-17-5-9-20(24)10-6-17/h5-12,19,22,26,29H,2-4,13-16H2,1H3,(H,27,28)/t19-,22+/m0/s1
InChIKeyRAMXEZXIGUHLOK-SIKLNZKXSA-N
MW420.50 g/mol
LogP4.17
Rot. Bonds13

About (2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide

(2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide (PubChem CID 25164605) has the molecular formula C23H30F2N2O3 and a molecular weight of 420.50 g/mol. Its IUPAC name is (2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide
PubChem CID25164605
Molecular FormulaC23H30F2N2O3
Molecular Weight420.50 g/mol
Exact Mass420.22
IUPAC Name(2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide
SMILESCO[C@H](C[C@H](CCCCNCCc1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C23H30F2N2O3/c1-30-22(18-7-11-21(25)12-8-18)16-19(23(28)27-29)4-2-3-14-26-15-13-17-5-9-20(24)10-6-17/h5-12,19,22,26,29H,2-4,13-16H2,1H3,(H,27,28)/t19-,22+/m0/s1
InChIKeyRAMXEZXIGUHLOK-SIKLNZKXSA-N
XLogP4.17
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide?
The IUPAC name of (2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide (CID 25164605) is (2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide.
What is the SMILES notation for (2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide?
The canonical SMILES for (2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide is CO[C@H](C[C@H](CCCCNCCc1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide?
The InChIKey is RAMXEZXIGUHLOK-SIKLNZKXSA-N. The full InChI is InChI=1S/C23H30F2N2O3/c1-30-22(18-7-11-21(25)12-8-18)16-19(23(28)27-29)4-2-3-14-26-15-13-17-5-9-20(24)10-6-17/h5-12,19,22,26,29H,2-4,13-16H2,1H3,(H,27,28)/t19-,22+/m0/s1.
What are the key properties of (2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide?
(2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide has a molecular weight of 420.50 g/mol, XLogP of 4.17, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide is sourced from PubChem (CID 25164605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).