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

C19H21NO5 — CID 118721346

IUPACN-hydroxy-4-[(4-phenoxyphenoxy)methyl]oxane-4-carboxamide
SMILESO=C(NO)C1(COc2ccc(Oc3ccccc3)cc2)CCOCC1
InChIInChI=1S/C19H21NO5/c21-18(20-22)19(10-12-23-13-11-19)14-24-15-6-8-17(9-7-15)25-16-4-2-1-3-5-16/h1-9,22H,10-14H2,(H,20,21)
InChIKeyMSEGGAXCHVLTDK-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.16
Rot. Bonds6

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

N-hydroxy-4-[(4-phenoxyphenoxy)methyl]oxane-4-carboxamide (PubChem CID 118721346) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-hydroxy-4-[(4-phenoxyphenoxy)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-phenoxyphenoxy)methyl]oxane-4-carboxamide
PubChem CID118721346
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-hydroxy-4-[(4-phenoxyphenoxy)methyl]oxane-4-carboxamide
SMILESO=C(NO)C1(COc2ccc(Oc3ccccc3)cc2)CCOCC1
InChIInChI=1S/C19H21NO5/c21-18(20-22)19(10-12-23-13-11-19)14-24-15-6-8-17(9-7-15)25-16-4-2-1-3-5-16/h1-9,22H,10-14H2,(H,20,21)
InChIKeyMSEGGAXCHVLTDK-UHFFFAOYSA-N
XLogP3.16
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.16
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-phenoxyphenoxy)methyl]oxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[(4-phenoxyphenoxy)methyl]oxane-4-carboxamide (CID 118721346) is N-hydroxy-4-[(4-phenoxyphenoxy)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(4-phenoxyphenoxy)methyl]oxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[(4-phenoxyphenoxy)methyl]oxane-4-carboxamide is O=C(NO)C1(COc2ccc(Oc3ccccc3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[(4-phenoxyphenoxy)methyl]oxane-4-carboxamide?
The InChIKey is MSEGGAXCHVLTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c21-18(20-22)19(10-12-23-13-11-19)14-24-15-6-8-17(9-7-15)25-16-4-2-1-3-5-16/h1-9,22H,10-14H2,(H,20,21).
What are the key properties of N-hydroxy-4-[(4-phenoxyphenoxy)methyl]oxane-4-carboxamide?
N-hydroxy-4-[(4-phenoxyphenoxy)methyl]oxane-4-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-phenoxyphenoxy)methyl]oxane-4-carboxamide is sourced from PubChem (CID 118721346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).