2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide

C21H26N2O5 — CID 175007048

IUPAC2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide
SMILESCC(C)(C)[C@H](CO)NC(=O)c1ccccc1OCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C21H26N2O5/c1-21(2,3)18(12-24)22-20(26)16-6-4-5-7-17(16)28-13-14-8-10-15(11-9-14)19(25)23-27/h4-11,18,24,27H,12-13H2,1-3H3,(H,22,26)(H,23,25)/t18-/m0/s1
InChIKeyPSHGVNGMTGKEEY-SFHVURJKSA-N
MW386.45 g/mol
LogP2.52
Rot. Bonds7

About 2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide

2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide (PubChem CID 175007048) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide
PubChem CID175007048
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide
SMILESCC(C)(C)[C@H](CO)NC(=O)c1ccccc1OCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C21H26N2O5/c1-21(2,3)18(12-24)22-20(26)16-6-4-5-7-17(16)28-13-14-8-10-15(11-9-14)19(25)23-27/h4-11,18,24,27H,12-13H2,1-3H3,(H,22,26)(H,23,25)/t18-/m0/s1
InChIKeyPSHGVNGMTGKEEY-SFHVURJKSA-N
XLogP2.52
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.52
H-Bond Donors ≤ 54
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 2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide 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 2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide?
The IUPAC name of 2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide (CID 175007048) is 2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide.
What is the SMILES notation for 2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide?
The canonical SMILES for 2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide is CC(C)(C)[C@H](CO)NC(=O)c1ccccc1OCc1ccc(C(=O)NO)cc1.
What is the InChIKey of 2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide?
The InChIKey is PSHGVNGMTGKEEY-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-21(2,3)18(12-24)22-20(26)16-6-4-5-7-17(16)28-13-14-8-10-15(11-9-14)19(25)23-27/h4-11,18,24,27H,12-13H2,1-3H3,(H,22,26)(H,23,25)/t18-/m0/s1.
What are the key properties of 2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide?
2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxycarbamoyl)phenyl]methoxy]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide is sourced from PubChem (CID 175007048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).