2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide

C13H19N3O4 — CID 43156183

IUPAC2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1ccccc1/C(N)=N/O
InChIInChI=1S/C13H19N3O4/c1-19-8-4-7-15-12(17)9-20-11-6-3-2-5-10(11)13(14)16-18/h2-3,5-6,18H,4,7-9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyPXWDKFUDBGAGBO-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.31
Rot. Bonds8

About 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide

2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide (PubChem CID 43156183) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide
PubChem CID43156183
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1ccccc1/C(N)=N/O
InChIInChI=1S/C13H19N3O4/c1-19-8-4-7-15-12(17)9-20-11-6-3-2-5-10(11)13(14)16-18/h2-3,5-6,18H,4,7-9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyPXWDKFUDBGAGBO-UHFFFAOYSA-N
XLogP0.31
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60626030
N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide
CID 43155983
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 43332989
3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380362
2-(2,3-dimethoxyphenoxy)-N-(3-methoxypropyl)acetamide
CID 112978341
2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide
CID 76943356
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide
CID 77003568
2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide
CID 83018834
2-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 47101310
2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914
2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide
CID 43591453
2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide
CID 8529413

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide (CID 43156183) is 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1ccccc1/C(N)=N/O.
What is the InChIKey of 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide?
The InChIKey is PXWDKFUDBGAGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-19-8-4-7-15-12(17)9-20-11-6-3-2-5-10(11)13(14)16-18/h2-3,5-6,18H,4,7-9H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide?
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 281.31 g/mol, XLogP of 0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 43156183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).