3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide

C14H23N3O3 — CID 76987745

IUPAC3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide
SMILESCOc1ccc(CN(C)C(C)CC(N)=NO)cc1OC
InChIInChI=1S/C14H23N3O3/c1-10(7-14(15)16-18)17(2)9-11-5-6-12(19-3)13(8-11)20-4/h5-6,8,10,18H,7,9H2,1-4H3,(H2,15,16)
InChIKeyYWGPGOPBHALHEU-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.66
Rot. Bonds7

About 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide

3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide (PubChem CID 76987745) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide
PubChem CID76987745
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide
SMILESCOc1ccc(CN(C)C(C)CC(N)=NO)cc1OC
InChIInChI=1S/C14H23N3O3/c1-10(7-14(15)16-18)17(2)9-11-5-6-12(19-3)13(8-11)20-4/h5-6,8,10,18H,7,9H2,1-4H3,(H2,15,16)
InChIKeyYWGPGOPBHALHEU-UHFFFAOYSA-N
XLogP1.66
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
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 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-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

N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide
CID 76987510
N'-hydroxy-3-[methyl-[(3-methylphenyl)methyl]amino]butanimidamide
CID 61413856
3-[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 103173134
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910782
2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol
CID 82985643
2-methoxy-5-[[methyl(3-methylbutan-2-yl)amino]methyl]benzenecarbothioamide
CID 65339734
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide
CID 107743240
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanethioamide
CID 54991879
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8845343

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide (CID 76987745) is 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide is COc1ccc(CN(C)C(C)CC(N)=NO)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide?
The InChIKey is YWGPGOPBHALHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(7-14(15)16-18)17(2)9-11-5-6-12(19-3)13(8-11)20-4/h5-6,8,10,18H,7,9H2,1-4H3,(H2,15,16).
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide?
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide has a molecular weight of 281.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76987745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).