N-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide

C20H23NO5 — CID 118721345

IUPACN-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide
SMILESO=C(NO)C1(COc2ccc(OCc3ccccc3)cc2)CCOCC1
InChIInChI=1S/C20H23NO5/c22-19(21-23)20(10-12-24-13-11-20)15-26-18-8-6-17(7-9-18)25-14-16-4-2-1-3-5-16/h1-9,23H,10-15H2,(H,21,22)
InChIKeyQNHUWRRIZWRPEP-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.95
Rot. Bonds7

About N-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide

N-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide (PubChem CID 118721345) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide
PubChem CID118721345
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC NameN-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide
SMILESO=C(NO)C1(COc2ccc(OCc3ccccc3)cc2)CCOCC1
InChIInChI=1S/C20H23NO5/c22-19(21-23)20(10-12-24-13-11-20)15-26-18-8-6-17(7-9-18)25-14-16-4-2-1-3-5-16/h1-9,23H,10-15H2,(H,21,22)
InChIKeyQNHUWRRIZWRPEP-UHFFFAOYSA-N
XLogP2.95
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.95
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide (CID 118721345) is N-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide is O=C(NO)C1(COc2ccc(OCc3ccccc3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide?
The InChIKey is QNHUWRRIZWRPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c22-19(21-23)20(10-12-24-13-11-20)15-26-18-8-6-17(7-9-18)25-14-16-4-2-1-3-5-16/h1-9,23H,10-15H2,(H,21,22).
What are the key properties of N-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide?
N-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-phenylmethoxyphenoxy)methyl]oxane-4-carboxamide is sourced from PubChem (CID 118721345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).