2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide

C13H17N3O3 — CID 76943356

IUPAC2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide
SMILESCC1CC1NC(=O)COc1ccccc1C(N)=NO
InChIInChI=1S/C13H17N3O3/c1-8-6-10(8)15-12(17)7-19-11-5-3-2-4-9(11)13(14)16-18/h2-5,8,10,18H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyVLKHEGFKUZJYPJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.68
Rot. Bonds5

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

2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide (PubChem CID 76943356) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide
PubChem CID76943356
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide
SMILESCC1CC1NC(=O)COc1ccccc1C(N)=NO
InChIInChI=1S/C13H17N3O3/c1-8-6-10(8)15-12(17)7-19-11-5-3-2-4-9(11)13(14)16-18/h2-5,8,10,18H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyVLKHEGFKUZJYPJ-UHFFFAOYSA-N
XLogP0.68
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.68
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

N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide
CID 43155983
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 43332989
2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide
CID 83018834
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 43156183
2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide
CID 43374370
N'-hydroxy-2-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 43332975
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
N-[(1S,2R)-2-methylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 2504510
2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide
CID 11921212
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
CID 79679575
N'-hydroxy-2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 76904159

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide?
The IUPAC name of 2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide (CID 76943356) is 2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide.
What is the SMILES notation for 2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide?
The canonical SMILES for 2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide is CC1CC1NC(=O)COc1ccccc1C(N)=NO.
What is the InChIKey of 2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide?
The InChIKey is VLKHEGFKUZJYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-6-10(8)15-12(17)7-19-11-5-3-2-4-9(11)13(14)16-18/h2-5,8,10,18H,6-7H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide?
2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide is sourced from PubChem (CID 76943356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).