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

C15H23N3O3 — CID 77073403

IUPAC1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide
SMILESCCOc1ccccc1OCCN1CCCC1C(N)=NO
InChIInChI=1S/C15H23N3O3/c1-2-20-13-7-3-4-8-14(13)21-11-10-18-9-5-6-12(18)15(16)17-19/h3-4,7-8,12,19H,2,5-6,9-11H2,1H3,(H2,16,17)
InChIKeyOQPWUGYAGLMONT-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.67
Rot. Bonds7

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

1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide (PubChem CID 77073403) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide
PubChem CID77073403
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide
SMILESCCOc1ccccc1OCCN1CCCC1C(N)=NO
InChIInChI=1S/C15H23N3O3/c1-2-20-13-7-3-4-8-14(13)21-11-10-18-9-5-6-12(18)15(16)17-19/h3-4,7-8,12,19H,2,5-6,9-11H2,1H3,(H2,16,17)
InChIKeyOQPWUGYAGLMONT-UHFFFAOYSA-N
XLogP1.67
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.67
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

ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate
CID 62028747
1-[2-(2-ethoxyphenoxy)ethyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681573
N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide
CID 77036189
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline
CID 60973851
1-[2-(2-ethoxyphenoxy)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369952
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 82224167
1-decyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036162
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049136
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909139
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 60973416
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide (CID 77073403) is 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide is CCOc1ccccc1OCCN1CCCC1C(N)=NO.
What is the InChIKey of 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is OQPWUGYAGLMONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-20-13-7-3-4-8-14(13)21-11-10-18-9-5-6-12(18)15(16)17-19/h3-4,7-8,12,19H,2,5-6,9-11H2,1H3,(H2,16,17).
What are the key properties of 1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide?
1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 293.37 g/mol, XLogP of 1.67, 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'-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 77073403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).