N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide

C11H16N2O3 — CID 76883900

IUPACN'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
SMILESCOCCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C11H16N2O3/c1-15-7-2-8-16-10-5-3-9(4-6-10)11(12)13-14/h3-6,14H,2,7-8H2,1H3,(H2,12,13)
InChIKeyHZYNNEHAIBMIHB-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.20
Rot. Bonds6

About N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide

N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide (PubChem CID 76883900) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
PubChem CID76883900
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
SMILESCOCCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C11H16N2O3/c1-15-7-2-8-16-10-5-3-9(4-6-10)11(12)13-14/h3-6,14H,2,7-8H2,1H3,(H2,12,13)
InChIKeyHZYNNEHAIBMIHB-UHFFFAOYSA-N
XLogP1.20
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
4-[6-[3,5-bis[6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]hexoxy]phenoxy]hexoxy]-N'-hydroxybenzenecarboximidamide;ethane
CID 142380100
N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide
CID 82939708
N'-hydroxy-4-[2-(1-methoxypropan-2-yloxy)ethoxy]benzenecarboximidamide
CID 77015867
N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide
CID 81277376
4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide
CID 114280249
N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033917
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326452

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide (CID 76883900) is N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide is COCCCOc1ccc(C(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide?
The InChIKey is HZYNNEHAIBMIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-7-2-8-16-10-5-3-9(4-6-10)11(12)13-14/h3-6,14H,2,7-8H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide?
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide has a molecular weight of 224.26 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide is sourced from PubChem (CID 76883900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).