1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide

C15H19N3O3 — CID 114654700

IUPAC1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide
SMILESCCOc1ccccc1OCCn1cccc1/C(N)=N/O
InChIInChI=1S/C15H19N3O3/c1-2-20-13-7-3-4-8-14(13)21-11-10-18-9-5-6-12(18)15(16)17-19/h3-9,19H,2,10-11H2,1H3,(H2,16,17)
InChIKeyWACXAKQZDTVJCI-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.06
Rot. Bonds7

About 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide

1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide (PubChem CID 114654700) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide
PubChem CID114654700
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide
SMILESCCOc1ccccc1OCCn1cccc1/C(N)=N/O
InChIInChI=1S/C15H19N3O3/c1-2-20-13-7-3-4-8-14(13)21-11-10-18-9-5-6-12(18)15(16)17-19/h3-9,19H,2,10-11H2,1H3,(H2,16,17)
InChIKeyWACXAKQZDTVJCI-UHFFFAOYSA-N
XLogP2.06
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide
CID 114654828
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
CID 79102917
1-(3-ethylsulfanylpropyl)-N'-hydroxypyrrole-2-carboximidamide
CID 114654881
N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide
CID 114654762
1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77073403
ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate
CID 105421875
N'-hydroxy-1-methylpyrrole-2-carboximidamide
CID 22343319
N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
CID 107656907
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291
1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpyrrole-2-carboxylic acid
CID 102604533
6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24690415

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide?
The IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide (CID 114654700) is 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide.
What is the SMILES notation for 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide?
The canonical SMILES for 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide is CCOc1ccccc1OCCn1cccc1/C(N)=N/O.
What is the InChIKey of 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide?
The InChIKey is WACXAKQZDTVJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-20-13-7-3-4-8-14(13)21-11-10-18-9-5-6-12(18)15(16)17-19/h3-9,19H,2,10-11H2,1H3,(H2,16,17).
What are the key properties of 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide?
1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide has a molecular weight of 289.34 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide is sourced from PubChem (CID 114654700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).