2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide

C14H19N3O4 — CID 43610524

IUPAC2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide
SMILESN/C(=N\O)c1ccc(OCC(=O)NC2CCOCC2)cc1
InChIInChI=1S/C14H19N3O4/c15-14(17-19)10-1-3-12(4-2-10)21-9-13(18)16-11-5-7-20-8-6-11/h1-4,11,19H,5-9H2,(H2,15,17)(H,16,18)
InChIKeyAPDOFHQGZJDBGG-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.46
Rot. Bonds5

About 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide

2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide (PubChem CID 43610524) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide
PubChem CID43610524
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide
SMILESN/C(=N\O)c1ccc(OCC(=O)NC2CCOCC2)cc1
InChIInChI=1S/C14H19N3O4/c15-14(17-19)10-1-3-12(4-2-10)21-9-13(18)16-11-5-7-20-8-6-11/h1-4,11,19H,5-9H2,(H2,15,17)(H,16,18)
InChIKeyAPDOFHQGZJDBGG-UHFFFAOYSA-N
XLogP0.46
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(oxan-4-yl)acetamide
CID 77001460
2-(4-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
CID 55182267
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(oxan-4-yl)benzamide
CID 43610520
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495370
N'-hydroxy-4-[2-(oxan-4-ylsulfanyl)ethoxy]benzenecarboximidamide
CID 76980177
2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide
CID 81301243
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
2-[[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]amino]ethyl carbamate
CID 83205911
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide
CID 106330938
4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide
CID 119451956
2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide
CID 55190193

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide (CID 43610524) is 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide is N/C(=N\O)c1ccc(OCC(=O)NC2CCOCC2)cc1.
What is the InChIKey of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide?
The InChIKey is APDOFHQGZJDBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c15-14(17-19)10-1-3-12(4-2-10)21-9-13(18)16-11-5-7-20-8-6-11/h1-4,11,19H,5-9H2,(H2,15,17)(H,16,18).
What are the key properties of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide?
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide has a molecular weight of 293.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 43610524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).