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

C13H19N3O3 — CID 43332989

IUPAC2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccccc1/C(N)=N/O
InChIInChI=1S/C13H19N3O3/c1-9(2)7-15-12(17)8-19-11-6-4-3-5-10(11)13(14)16-18/h3-6,9,18H,7-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyKKJQPOLJVQWXQQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.93
Rot. Bonds6

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

2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 43332989) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide
PubChem CID43332989
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccccc1/C(N)=N/O
InChIInChI=1S/C13H19N3O3/c1-9(2)7-15-12(17)8-19-11-6-4-3-5-10(11)13(14)16-18/h3-6,9,18H,7-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyKKJQPOLJVQWXQQ-UHFFFAOYSA-N
XLogP0.93
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.93
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'}

Analyze 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide
CID 43155983
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 43156183
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121
2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide
CID 107155288
2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide
CID 76943356
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933
2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide
CID 83018834
2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 43438102
2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide
CID 106164586
2-(2-carbamothioylphenoxy)-N-(3-methylbutyl)acetamide
CID 24698242
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2595744
2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide
CID 43374370

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide (CID 43332989) is 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1ccccc1/C(N)=N/O.
What is the InChIKey of 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is KKJQPOLJVQWXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)7-15-12(17)8-19-11-6-4-3-5-10(11)13(14)16-18/h3-6,9,18H,7-8H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide?
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 43332989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).