(2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide

C15H23FN2O3 — CID 52945792

IUPAC(2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
SMILESCO[C@H](C[C@H](CCN(C)C)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O3/c1-18(2)9-8-12(15(19)17-20)10-14(21-3)11-4-6-13(16)7-5-11/h4-7,12,14,20H,8-10H2,1-3H3,(H,17,19)/t12-,14+/m0/s1
InChIKeyGFJLMEFPPHUDJE-GXTWGEPZSA-N
MW298.36 g/mol
LogP1.98
Rot. Bonds8

About (2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide

(2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide (PubChem CID 52945792) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is (2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide.

Molecular Properties

Compound Name(2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
PubChem CID52945792
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name(2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
SMILESCO[C@H](C[C@H](CCN(C)C)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O3/c1-18(2)9-8-12(15(19)17-20)10-14(21-3)11-4-6-13(16)7-5-11/h4-7,12,14,20H,8-10H2,1-3H3,(H,17,19)/t12-,14+/m0/s1
InChIKeyGFJLMEFPPHUDJE-GXTWGEPZSA-N
XLogP1.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 (2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The IUPAC name of (2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide (CID 52945792) is (2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide.
What is the SMILES notation for (2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The canonical SMILES for (2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide is CO[C@H](C[C@H](CCN(C)C)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The InChIKey is GFJLMEFPPHUDJE-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-18(2)9-8-12(15(19)17-20)10-14(21-3)11-4-6-13(16)7-5-11/h4-7,12,14,20H,8-10H2,1-3H3,(H,17,19)/t12-,14+/m0/s1.
What are the key properties of (2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
(2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide has a molecular weight of 298.36 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide is sourced from PubChem (CID 52945792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).