5-(3-ethylphenoxy)-N'-hydroxypentanimidamide

C13H20N2O2 — CID 54965601

IUPAC5-(3-ethylphenoxy)-N'-hydroxypentanimidamide
SMILESCCc1cccc(OCCCCC(N)=NO)c1
InChIInChI=1S/C13H20N2O2/c1-2-11-6-5-7-12(10-11)17-9-4-3-8-13(14)15-16/h5-7,10,16H,2-4,8-9H2,1H3,(H2,14,15)
InChIKeyNEUVKLVYFLMJOZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.54
Rot. Bonds7

About 5-(3-ethylphenoxy)-N'-hydroxypentanimidamide

5-(3-ethylphenoxy)-N'-hydroxypentanimidamide (PubChem CID 54965601) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-(3-ethylphenoxy)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(3-ethylphenoxy)-N'-hydroxypentanimidamide
PubChem CID54965601
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-(3-ethylphenoxy)-N'-hydroxypentanimidamide
SMILESCCc1cccc(OCCCCC(N)=NO)c1
InChIInChI=1S/C13H20N2O2/c1-2-11-6-5-7-12(10-11)17-9-4-3-8-13(14)15-16/h5-7,10,16H,2-4,8-9H2,1H3,(H2,14,15)
InChIKeyNEUVKLVYFLMJOZ-UHFFFAOYSA-N
XLogP2.54
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide
CID 109374748
4-(3-ethylphenoxy)butanamide
CID 82040637
N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide
CID 109374643
4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062790
4-(3-ethylphenoxy)butanimidamide
CID 24704166
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198
7-(3-ethylphenoxy)-N-hydroxyheptanamide
CID 39364757
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol
CID 64802185
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide
CID 43169674
3-[2-(3-ethylphenoxy)ethoxy]benzenecarbothioamide
CID 43291286

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylphenoxy)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(3-ethylphenoxy)-N'-hydroxypentanimidamide (CID 54965601) is 5-(3-ethylphenoxy)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(3-ethylphenoxy)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(3-ethylphenoxy)-N'-hydroxypentanimidamide is CCc1cccc(OCCCCC(N)=NO)c1.
What is the InChIKey of 5-(3-ethylphenoxy)-N'-hydroxypentanimidamide?
The InChIKey is NEUVKLVYFLMJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-11-6-5-7-12(10-11)17-9-4-3-8-13(14)15-16/h5-7,10,16H,2-4,8-9H2,1H3,(H2,14,15).
What are the key properties of 5-(3-ethylphenoxy)-N'-hydroxypentanimidamide?
5-(3-ethylphenoxy)-N'-hydroxypentanimidamide has a molecular weight of 236.31 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylphenoxy)-N'-hydroxypentanimidamide is sourced from PubChem (CID 54965601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).