N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide

C14H20N2O3 — CID 77070744

IUPACN'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide
SMILESCOCc1cccc(OCC2(CC(N)=NO)CC2)c1
InChIInChI=1S/C14H20N2O3/c1-18-9-11-3-2-4-12(7-11)19-10-14(5-6-14)8-13(15)16-17/h2-4,7,17H,5-6,8-10H2,1H3,(H2,15,16)
InChIKeyYPGQOAXAIIZGFR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.13
Rot. Bonds7

About N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide (PubChem CID 77070744) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide
PubChem CID77070744
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide
SMILESCOCc1cccc(OCC2(CC(N)=NO)CC2)c1
InChIInChI=1S/C14H20N2O3/c1-18-9-11-3-2-4-12(7-11)19-10-14(5-6-14)8-13(15)16-17/h2-4,7,17H,5-6,8-10H2,1H3,(H2,15,16)
InChIKeyYPGQOAXAIIZGFR-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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

2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanethioamide
CID 65495363
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071327
2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 82824129
N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
CID 77071578
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
2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine
CID 120966267
N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide
CID 77071143
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 77014267
1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine
CID 120965786
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
[1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967314

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide (CID 77070744) is N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide is COCc1cccc(OCC2(CC(N)=NO)CC2)c1.
What is the InChIKey of N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide?
The InChIKey is YPGQOAXAIIZGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-9-11-3-2-4-12(7-11)19-10-14(5-6-14)8-13(15)16-17/h2-4,7,17H,5-6,8-10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide has a molecular weight of 264.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77070744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).