2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide

C13H18N2O2 — CID 24704646

IUPAC2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc(OC2CCCC2)cc1)=N\O
InChIInChI=1S/C13H18N2O2/c14-13(15-16)9-10-5-7-12(8-6-10)17-11-3-1-2-4-11/h5-8,11,16H,1-4,9H2,(H2,14,15)
InChIKeyACMWHOYRURQGIL-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.30
Rot. Bonds4

About 2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide

2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide (PubChem CID 24704646) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide
PubChem CID24704646
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc(OC2CCCC2)cc1)=N\O
InChIInChI=1S/C13H18N2O2/c14-13(15-16)9-10-5-7-12(8-6-10)17-11-3-1-2-4-11/h5-8,11,16H,1-4,9H2,(H2,14,15)
InChIKeyACMWHOYRURQGIL-UHFFFAOYSA-N
XLogP2.30
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.30
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

N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide
CID 77013671
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
2-[(4-cyclohexyloxyphenyl)methyl]guanidine
CID 110917755
3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid
CID 82161370
(NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine
CID 43093796
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
1-(4-cyclobutyloxyphenyl)propan-2-ol
CID 117295049
[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229827
1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 156538056
2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide
CID 105361608
4-cycloheptyloxybenzamide
CID 141109251
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide (CID 24704646) is 2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide is N/C(Cc1ccc(OC2CCCC2)cc1)=N\O.
What is the InChIKey of 2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide?
The InChIKey is ACMWHOYRURQGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(15-16)9-10-5-7-12(8-6-10)17-11-3-1-2-4-11/h5-8,11,16H,1-4,9H2,(H2,14,15).
What are the key properties of 2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide?
2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide has a molecular weight of 234.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 24704646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).