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

C11H15N3O3 — CID 43155983

IUPACN-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccccc1/C(N)=N/O
InChIInChI=1S/C11H15N3O3/c1-2-13-10(15)7-17-9-6-4-3-5-8(9)11(12)14-16/h3-6,16H,2,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyVQECDBGOBBDLOG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.30
Rot. Bonds5

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

N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide (PubChem CID 43155983) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide
PubChem CID43155983
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccccc1/C(N)=N/O
InChIInChI=1S/C11H15N3O3/c1-2-13-10(15)7-17-9-6-4-3-5-8(9)11(12)14-16/h3-6,16H,2,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyVQECDBGOBBDLOG-UHFFFAOYSA-N
XLogP0.30
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 43332989
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 43156183
2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide
CID 76943356
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide
CID 83018834
2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide
CID 43374370
2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide
CID 54914844
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide
CID 30118137
3-(2-carbamothioylphenoxy)-N-ethylpropanamide
CID 62324611
2-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzamide
CID 9092419
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide (CID 43155983) is N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide is CCNC(=O)COc1ccccc1/C(N)=N/O.
What is the InChIKey of N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide?
The InChIKey is VQECDBGOBBDLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-13-10(15)7-17-9-6-4-3-5-8(9)11(12)14-16/h3-6,16H,2,7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide?
N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide has a molecular weight of 237.26 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide is sourced from PubChem (CID 43155983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).