N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide

C14H23N3O2 — CID 76987510

IUPACN'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide
SMILESCOc1ccc(C)cc1CN(C)C(C)CC(N)=NO
InChIInChI=1S/C14H23N3O2/c1-10-5-6-13(19-4)12(7-10)9-17(3)11(2)8-14(15)16-18/h5-7,11,18H,8-9H2,1-4H3,(H2,15,16)
InChIKeyFDUKWOBJONGVSG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.96
Rot. Bonds6

About N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide

N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide (PubChem CID 76987510) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide
PubChem CID76987510
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide
SMILESCOc1ccc(C)cc1CN(C)C(C)CC(N)=NO
InChIInChI=1S/C14H23N3O2/c1-10-5-6-13(19-4)12(7-10)9-17(3)11(2)8-14(15)16-18/h5-7,11,18H,8-9H2,1-4H3,(H2,15,16)
InChIKeyFDUKWOBJONGVSG-UHFFFAOYSA-N
XLogP1.96
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide (CID 76987510) is N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide is COc1ccc(C)cc1CN(C)C(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide?
The InChIKey is FDUKWOBJONGVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-5-6-13(19-4)12(7-10)9-17(3)11(2)8-14(15)16-18/h5-7,11,18H,8-9H2,1-4H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide?
N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide has a molecular weight of 265.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide is sourced from PubChem (CID 76987510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).