N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide

C19H21NO4 — CID 87317670

IUPACN-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide
SMILESO=C(NO)C1(OCc2ccc(-c3ccccc3)cc2)CCOCC1
InChIInChI=1S/C19H21NO4/c21-18(20-22)19(10-12-23-13-11-19)24-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,22H,10-14H2,(H,20,21)
InChIKeyCIZRZOOKBVSUDM-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.92
Rot. Bonds5

About N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide

N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide (PubChem CID 87317670) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide
PubChem CID87317670
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide
SMILESO=C(NO)C1(OCc2ccc(-c3ccccc3)cc2)CCOCC1
InChIInChI=1S/C19H21NO4/c21-18(20-22)19(10-12-23-13-11-19)24-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,22H,10-14H2,(H,20,21)
InChIKeyCIZRZOOKBVSUDM-UHFFFAOYSA-N
XLogP2.92
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.92
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 N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide (CID 87317670) is N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide is O=C(NO)C1(OCc2ccc(-c3ccccc3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide?
The InChIKey is CIZRZOOKBVSUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-18(20-22)19(10-12-23-13-11-19)24-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,22H,10-14H2,(H,20,21).
What are the key properties of N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide?
N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide is sourced from PubChem (CID 87317670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).