(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide

C17H25FN2O4 — CID 52944453

IUPAC(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide
SMILESCO[C@H](C[C@H](CCN1CCOCC1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O4/c1-23-16(13-2-4-15(18)5-3-13)12-14(17(21)19-22)6-7-20-8-10-24-11-9-20/h2-5,14,16,22H,6-12H2,1H3,(H,19,21)/t14-,16+/m0/s1
InChIKeySXZQCUUGWVXDOH-GOEBONIOSA-N
MW340.39 g/mol
LogP1.75
Rot. Bonds8

About (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide

(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide (PubChem CID 52944453) has the molecular formula C17H25FN2O4 and a molecular weight of 340.39 g/mol. Its IUPAC name is (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide
PubChem CID52944453
Molecular FormulaC17H25FN2O4
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide
SMILESCO[C@H](C[C@H](CCN1CCOCC1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O4/c1-23-16(13-2-4-15(18)5-3-13)12-14(17(21)19-22)6-7-20-8-10-24-11-9-20/h2-5,14,16,22H,6-12H2,1H3,(H,19,21)/t14-,16+/m0/s1
InChIKeySXZQCUUGWVXDOH-GOEBONIOSA-N
XLogP1.75
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide 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,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide (CID 52944453) is (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide is CO[C@H](C[C@H](CCN1CCOCC1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is SXZQCUUGWVXDOH-GOEBONIOSA-N. The full InChI is InChI=1S/C17H25FN2O4/c1-23-16(13-2-4-15(18)5-3-13)12-14(17(21)19-22)6-7-20-8-10-24-11-9-20/h2-5,14,16,22H,6-12H2,1H3,(H,19,21)/t14-,16+/m0/s1.
What are the key properties of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide?
(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 340.39 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 52944453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).