3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide

C14H22N2O3 — CID 43128365

IUPAC3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide
SMILESCCCCOCCOCc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H22N2O3/c1-2-3-7-18-8-9-19-11-12-5-4-6-13(10-12)14(15)16-17/h4-6,10,17H,2-3,7-9,11H2,1H3,(H2,15,16)
InChIKeyVLZCYKSKNHLUAJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.11
Rot. Bonds9

About 3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide

3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 43128365) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide
PubChem CID43128365
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide
SMILESCCCCOCCOCc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H22N2O3/c1-2-3-7-18-8-9-19-11-12-5-4-6-13(10-12)14(15)16-17/h4-6,10,17H,2-3,7-9,11H2,1H3,(H2,15,16)
InChIKeyVLZCYKSKNHLUAJ-UHFFFAOYSA-N
XLogP2.11
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.11
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

4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43267729
3-(hexoxymethyl)benzenecarbothioamide
CID 29002420
N-(2-butoxyethyl)-3-(N'-hydroxycarbamimidoyl)benzamide
CID 76928576
butyl 3-(N'-hydroxycarbamimidoyl)benzoate
CID 123693701
3-(butan-2-yloxymethyl)-N'-hydroxybenzenecarboximidamide
CID 76883227
4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76905016
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
3-decoxy-N'-hydroxybenzenecarboximidamide
CID 76997791
methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate
CID 157191874
N'-hydroxy-3-(propylaminomethyl)benzenecarboximidamide
CID 77028524
3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide
CID 119754343
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide (CID 43128365) is 3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide is CCCCOCCOCc1cccc(/C(N)=N/O)c1.
What is the InChIKey of 3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is VLZCYKSKNHLUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-3-7-18-8-9-19-11-12-5-4-6-13(10-12)14(15)16-17/h4-6,10,17H,2-3,7-9,11H2,1H3,(H2,15,16).
What are the key properties of 3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide?
3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 266.34 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43128365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).