N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide

C10H22N2O4 — CID 103177865

IUPACN'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide
SMILESCCC(OCCOCCCOC)C(N)=NO
InChIInChI=1S/C10H22N2O4/c1-3-9(10(11)12-13)16-8-7-15-6-4-5-14-2/h9,13H,3-8H2,1-2H3,(H2,11,12)
InChIKeyMQGBXPGSECCIGO-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.58
Rot. Bonds10

About N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide

N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide (PubChem CID 103177865) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide
PubChem CID103177865
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC NameN'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide
SMILESCCC(OCCOCCCOC)C(N)=NO
InChIInChI=1S/C10H22N2O4/c1-3-9(10(11)12-13)16-8-7-15-6-4-5-14-2/h9,13H,3-8H2,1-2H3,(H2,11,12)
InChIKeyMQGBXPGSECCIGO-UHFFFAOYSA-N
XLogP0.58
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.58
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

N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide
CID 103939505
2-(3-methoxypropoxy)butanamide
CID 62899538
2-[2-(3-methoxypropoxy)ethoxy]propanamide
CID 103179570
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
CID 109374764
2-[2-(3-methoxypropoxy)ethoxy]pentanehydrazide
CID 103175980
1-[3-(3-methoxypropoxy)propoxy]propan-1-ol
CID 23620031
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
ethyl 2-(3-methoxypropoxy)butanoate
CID 64661459
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide
CID 103409990
N'-hydroxy-3-(3-methoxypropoxy)pentanimidamide
CID 114995164
2-(2-methoxyethoxy)butanamide
CID 62900293
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 103409983

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide (CID 103177865) is N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide is CCC(OCCOCCCOC)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide?
The InChIKey is MQGBXPGSECCIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4/c1-3-9(10(11)12-13)16-8-7-15-6-4-5-14-2/h9,13H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide?
N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide has a molecular weight of 234.30 g/mol, XLogP of 0.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide is sourced from PubChem (CID 103177865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).