4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide

C14H20N2O2 — CID 77068953

IUPAC4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
SMILESCc1cc(C(N)=NO)cc(C)c1OCC1CCC1
InChIInChI=1S/C14H20N2O2/c1-9-6-12(14(15)16-17)7-10(2)13(9)18-8-11-4-3-5-11/h6-7,11,17H,3-5,8H2,1-2H3,(H2,15,16)
InChIKeyWMWUKGHCUZNKFB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.58
Rot. Bonds4

About 4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide

4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide (PubChem CID 77068953) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
PubChem CID77068953
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
SMILESCc1cc(C(N)=NO)cc(C)c1OCC1CCC1
InChIInChI=1S/C14H20N2O2/c1-9-6-12(14(15)16-17)7-10(2)13(9)18-8-11-4-3-5-11/h6-7,11,17H,3-5,8H2,1-2H3,(H2,15,16)
InChIKeyWMWUKGHCUZNKFB-UHFFFAOYSA-N
XLogP2.58
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81283453
4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81285641
3-(cyclopentylmethoxy)-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567543
4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid
CID 43117999
4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 80695553
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601
3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77067797
4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068944
N'-hydroxy-4-methoxy-3,5-dimethylbenzenecarboximidamide
CID 65470982
[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]methanamine
CID 61344792
2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109701
5-(chloromethyl)-2-(cyclobutylmethoxy)-1,3-dimethylbenzene
CID 65460366

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
The IUPAC name of 4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide (CID 77068953) is 4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide.
What is the SMILES notation for 4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
The canonical SMILES for 4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide is Cc1cc(C(N)=NO)cc(C)c1OCC1CCC1.
What is the InChIKey of 4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
The InChIKey is WMWUKGHCUZNKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-6-12(14(15)16-17)7-10(2)13(9)18-8-11-4-3-5-11/h6-7,11,17H,3-5,8H2,1-2H3,(H2,15,16).
What are the key properties of 4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide has a molecular weight of 248.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 77068953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).