2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide

C12H19N3O3 — CID 77025318

IUPAC2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide
SMILESCCC(Nc1cc(OC)cc(OC)c1)C(N)=NO
InChIInChI=1S/C12H19N3O3/c1-4-11(12(13)15-16)14-8-5-9(17-2)7-10(6-8)18-3/h5-7,11,14,16H,4H2,1-3H3,(H2,13,15)
InChIKeyBEVMJMMXDRXYGC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.64
Rot. Bonds6

About 2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide

2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide (PubChem CID 77025318) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide
PubChem CID77025318
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide
SMILESCCC(Nc1cc(OC)cc(OC)c1)C(N)=NO
InChIInChI=1S/C12H19N3O3/c1-4-11(12(13)15-16)14-8-5-9(17-2)7-10(6-8)18-3/h5-7,11,14,16H,4H2,1-3H3,(H2,13,15)
InChIKeyBEVMJMMXDRXYGC-UHFFFAOYSA-N
XLogP1.64
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-bromo-5-methoxyanilino)-N'-hydroxybutanimidamide
CID 77069907
3-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide
CID 77025200
N'-hydroxy-2-[1-(4-methoxyphenyl)ethylamino]butanimidamide
CID 77114501
2-(3-ethylanilino)-N'-hydroxybutanimidamide
CID 77027287
2-(3-chloroanilino)-N'-hydroxybutanimidamide
CID 77026492
2-(3-bromo-4-methylanilino)-N'-hydroxybutanimidamide
CID 77028281
2-[(3,5-dimethoxyanilino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369521
2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
CID 77031381
N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide
CID 77029373
2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide
CID 77026817
1-(3,5-dimethoxyanilino)propane-1-sulfonic acid
CID 22328435
N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide
CID 77029269

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide (CID 77025318) is 2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide is CCC(Nc1cc(OC)cc(OC)c1)C(N)=NO.
What is the InChIKey of 2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide?
The InChIKey is BEVMJMMXDRXYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-11(12(13)15-16)14-8-5-9(17-2)7-10(6-8)18-3/h5-7,11,14,16H,4H2,1-3H3,(H2,13,15).
What are the key properties of 2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide?
2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide has a molecular weight of 253.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77025318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).