2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide

C14H20N2O3 — CID 77071327

IUPAC2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCOc1ccc(OCC2(CC(N)=NO)CC2)cc1
InChIInChI=1S/C14H20N2O3/c1-2-18-11-3-5-12(6-4-11)19-10-14(7-8-14)9-13(15)16-17/h3-6,17H,2,7-10H2,1H3,(H2,15,16)
InChIKeyNJOVPJNMPMRCSN-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.38
Rot. Bonds7

About 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071327) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071327
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCOc1ccc(OCC2(CC(N)=NO)CC2)cc1
InChIInChI=1S/C14H20N2O3/c1-2-18-11-3-5-12(6-4-11)19-10-14(7-8-14)9-13(15)16-17/h3-6,17H,2,7-10H2,1H3,(H2,15,16)
InChIKeyNJOVPJNMPMRCSN-UHFFFAOYSA-N
XLogP2.38
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-[(4-methylsulfonylphenoxy)methyl]cyclopropyl]ethanimidamide
CID 77070891
2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
CID 77071229
2-[1-[(4-bromo-3,5-dimethylphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107724638
N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide
CID 77071143
N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide
CID 77070744
2-(4-ethoxyphenoxy)-N'-hydroxyethanimidamide
CID 24695727
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene
CID 65008315
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492412
2-[1-[(5-bromo-2-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 114673616
N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide
CID 77070663
N'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide
CID 77071325
N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide
CID 113426971

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071327) is 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide is CCOc1ccc(OCC2(CC(N)=NO)CC2)cc1.
What is the InChIKey of 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is NJOVPJNMPMRCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-18-11-3-5-12(6-4-11)19-10-14(7-8-14)9-13(15)16-17/h3-6,17H,2,7-10H2,1H3,(H2,15,16).
What are the key properties of 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 264.32 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).