N-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide

C23H21NO4 — CID 118721347

IUPACN-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide
SMILESO=C(NO)C1(COc2ccc(C#CC#Cc3ccccc3)cc2)CCOCC1
InChIInChI=1S/C23H21NO4/c25-22(24-26)23(14-16-27-17-15-23)18-28-21-12-10-20(11-13-21)9-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,10-13,26H,14-18H2,(H,24,25)
InChIKeyHKNQMFDLKSNTMB-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.77
Rot. Bonds4

About N-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide

N-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide (PubChem CID 118721347) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide
PubChem CID118721347
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC NameN-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide
SMILESO=C(NO)C1(COc2ccc(C#CC#Cc3ccccc3)cc2)CCOCC1
InChIInChI=1S/C23H21NO4/c25-22(24-26)23(14-16-27-17-15-23)18-28-21-12-10-20(11-13-21)9-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,10-13,26H,14-18H2,(H,24,25)
InChIKeyHKNQMFDLKSNTMB-UHFFFAOYSA-N
XLogP2.77
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.77
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide (CID 118721347) is N-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide is O=C(NO)C1(COc2ccc(C#CC#Cc3ccccc3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide?
The InChIKey is HKNQMFDLKSNTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c25-22(24-26)23(14-16-27-17-15-23)18-28-21-12-10-20(11-13-21)9-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,10-13,26H,14-18H2,(H,24,25).
What are the key properties of N-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide?
N-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide has a molecular weight of 375.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[4-(4-phenylbuta-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide is sourced from PubChem (CID 118721347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).