2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide

C16H24N2O3 — CID 76905167

IUPAC2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccccc1C(CC)=NO
InChIInChI=1S/C16H24N2O3/c1-4-8-12(3)17-16(19)11-21-15-10-7-6-9-13(15)14(5-2)18-20/h6-7,9-10,12,20H,4-5,8,11H2,1-3H3,(H,17,19)
InChIKeyXTLLLAYMYBZNHT-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.96
Rot. Bonds8

About 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide

2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide (PubChem CID 76905167) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide
PubChem CID76905167
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccccc1C(CC)=NO
InChIInChI=1S/C16H24N2O3/c1-4-8-12(3)17-16(19)11-21-15-10-7-6-9-13(15)14(5-2)18-20/h6-7,9-10,12,20H,4-5,8,11H2,1-3H3,(H,17,19)
InChIKeyXTLLLAYMYBZNHT-UHFFFAOYSA-N
XLogP2.96
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 76905153
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
CID 60626000
N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide
CID 24689546
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
CID 78931290
2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide
CID 24704040
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide
CID 114764380
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
CID 77003598
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine
CID 43823257
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807753

Frequently Asked Questions

What is the IUPAC name of 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide (CID 76905167) is 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1ccccc1C(CC)=NO.
What is the InChIKey of 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide?
The InChIKey is XTLLLAYMYBZNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-8-12(3)17-16(19)11-21-15-10-7-6-9-13(15)14(5-2)18-20/h6-7,9-10,12,20H,4-5,8,11H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide?
2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide has a molecular weight of 292.38 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide is sourced from PubChem (CID 76905167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).