2-(2-ethylphenoxy)-N'-hydroxypropanimidamide

C11H16N2O2 — CID 76915107

IUPAC2-(2-ethylphenoxy)-N'-hydroxypropanimidamide
SMILESCCc1ccccc1OC(C)C(N)=NO
InChIInChI=1S/C11H16N2O2/c1-3-9-6-4-5-7-10(9)15-8(2)11(12)13-14/h4-8,14H,3H2,1-2H3,(H2,12,13)
InChIKeyAAVAWDKCCZBRDG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.76
Rot. Bonds4

About 2-(2-ethylphenoxy)-N'-hydroxypropanimidamide

2-(2-ethylphenoxy)-N'-hydroxypropanimidamide (PubChem CID 76915107) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-N'-hydroxypropanimidamide
PubChem CID76915107
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(2-ethylphenoxy)-N'-hydroxypropanimidamide
SMILESCCc1ccccc1OC(C)C(N)=NO
InChIInChI=1S/C11H16N2O2/c1-3-9-6-4-5-7-10(9)15-8(2)11(12)13-14/h4-8,14H,3H2,1-2H3,(H2,12,13)
InChIKeyAAVAWDKCCZBRDG-UHFFFAOYSA-N
XLogP1.76
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
1-(2-ethylphenoxy)ethanol
CID 154419184
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
2-(2-ethylphenoxy)-N'-hydroxyethanimidamide
CID 43364299
2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 80741605
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
(2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100568779
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide
CID 53285104
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide
CID 99131605
1-butan-2-yloxy-2-ethylbenzene
CID 64763289

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(2-ethylphenoxy)-N'-hydroxypropanimidamide (CID 76915107) is 2-(2-ethylphenoxy)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(2-ethylphenoxy)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(2-ethylphenoxy)-N'-hydroxypropanimidamide is CCc1ccccc1OC(C)C(N)=NO.
What is the InChIKey of 2-(2-ethylphenoxy)-N'-hydroxypropanimidamide?
The InChIKey is AAVAWDKCCZBRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-9-6-4-5-7-10(9)15-8(2)11(12)13-14/h4-8,14H,3H2,1-2H3,(H2,12,13).
What are the key properties of 2-(2-ethylphenoxy)-N'-hydroxypropanimidamide?
2-(2-ethylphenoxy)-N'-hydroxypropanimidamide has a molecular weight of 208.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-N'-hydroxypropanimidamide is sourced from PubChem (CID 76915107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).