N-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide

C20H23NO5 — CID 118721348

IUPACN-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide
SMILESCC(C)(O)C#CC#Cc1ccc(OCC2(C(=O)NO)CCOCC2)cc1
InChIInChI=1S/C20H23NO5/c1-19(2,23)10-4-3-5-16-6-8-17(9-7-16)26-15-20(18(22)21-24)11-13-25-14-12-20/h6-9,23-24H,11-15H2,1-2H3,(H,21,22)
InChIKeyUCUNFEBTLGUAAR-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.49
Rot. Bonds4

About N-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide

N-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide (PubChem CID 118721348) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide
PubChem CID118721348
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC NameN-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide
SMILESCC(C)(O)C#CC#Cc1ccc(OCC2(C(=O)NO)CCOCC2)cc1
InChIInChI=1S/C20H23NO5/c1-19(2,23)10-4-3-5-16-6-8-17(9-7-16)26-15-20(18(22)21-24)11-13-25-14-12-20/h6-9,23-24H,11-15H2,1-2H3,(H,21,22)
InChIKeyUCUNFEBTLGUAAR-UHFFFAOYSA-N
XLogP1.49
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.49
H-Bond Donors ≤ 53
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide (CID 118721348) is N-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide is CC(C)(O)C#CC#Cc1ccc(OCC2(C(=O)NO)CCOCC2)cc1.
What is the InChIKey of N-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide?
The InChIKey is UCUNFEBTLGUAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-19(2,23)10-4-3-5-16-6-8-17(9-7-16)26-15-20(18(22)21-24)11-13-25-14-12-20/h6-9,23-24H,11-15H2,1-2H3,(H,21,22).
What are the key properties of N-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide?
N-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[4-(5-hydroxy-5-methylhexa-1,3-diynyl)phenoxy]methyl]oxane-4-carboxamide is sourced from PubChem (CID 118721348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).