N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide

C14H22N2O4 — CID 107930270

IUPACN'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide
SMILESCOCCOCCCOc1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C14H22N2O4/c1-11-4-5-13(12(10-11)14(15)16-17)20-7-3-6-19-9-8-18-2/h4-5,10,17H,3,6-9H2,1-2H3,(H2,15,16)
InChIKeyLRFMCKWRPZFANT-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.52
Rot. Bonds9

About N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide

N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide (PubChem CID 107930270) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide
PubChem CID107930270
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide
SMILESCOCCOCCCOc1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C14H22N2O4/c1-11-4-5-13(12(10-11)14(15)16-17)20-7-3-6-19-9-8-18-2/h4-5,10,17H,3,6-9H2,1-2H3,(H2,15,16)
InChIKeyLRFMCKWRPZFANT-UHFFFAOYSA-N
XLogP1.52
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738
N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177799
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930246
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]boronic acid
CID 103180882
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol
CID 103180530
butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene
CID 142875818
N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
CID 76938735

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide (CID 107930270) is N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide is COCCOCCCOc1ccc(C)cc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide?
The InChIKey is LRFMCKWRPZFANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-11-4-5-13(12(10-11)14(15)16-17)20-7-3-6-19-9-8-18-2/h4-5,10,17H,3,6-9H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide?
N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide has a molecular weight of 282.34 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).