4-butoxy-N'-hydroxybenzenecarboximidamide

C11H16N2O2 — CID 2255598

IUPAC4-butoxy-N'-hydroxybenzenecarboximidamide
SMILESCCCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C11H16N2O2/c1-2-3-8-15-10-6-4-9(5-7-10)11(12)13-14/h4-7,14H,2-3,8H2,1H3,(H2,12,13)
InChIKeyPGZWETLFKWJPDA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.96
Rot. Bonds5

About 4-butoxy-N'-hydroxybenzenecarboximidamide

4-butoxy-N'-hydroxybenzenecarboximidamide (PubChem CID 2255598) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-butoxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-butoxy-N'-hydroxybenzenecarboximidamide
PubChem CID2255598
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-butoxy-N'-hydroxybenzenecarboximidamide
SMILESCCCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C11H16N2O2/c1-2-3-8-15-10-6-4-9(5-7-10)11(12)13-14/h4-7,14H,2-3,8H2,1H3,(H2,12,13)
InChIKeyPGZWETLFKWJPDA-UHFFFAOYSA-N
XLogP1.96
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-pentoxyethoxy)benzenecarboximidamide
CID 61299054
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
formonitrile;4-heptoxy-N'-hydroxybenzenecarboximidamide;1-heptoxy-4-methylbenzene
CID 172920699
4-[6-[3,5-bis[6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]hexoxy]phenoxy]hexoxy]-N'-hydroxybenzenecarboximidamide;ethane
CID 142380100
N'-hydroxy-4-[2-(3-propoxypropylamino)ethoxy]benzenecarboximidamide
CID 82941754
4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide
CID 114280249
4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43267729
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326452

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-butoxy-N'-hydroxybenzenecarboximidamide (CID 2255598) is 4-butoxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-butoxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-butoxy-N'-hydroxybenzenecarboximidamide is CCCCOc1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-butoxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is PGZWETLFKWJPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-3-8-15-10-6-4-9(5-7-10)11(12)13-14/h4-7,14H,2-3,8H2,1H3,(H2,12,13).
What are the key properties of 4-butoxy-N'-hydroxybenzenecarboximidamide?
4-butoxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 208.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 2255598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).