3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide

C14H23N3O3 — CID 76910782

IUPAC3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCOc1ccc(CN(C)CC(C)C(N)=NO)cc1OC
InChIInChI=1S/C14H23N3O3/c1-10(14(15)16-18)8-17(2)9-11-5-6-12(19-3)13(7-11)20-4/h5-7,10,18H,8-9H2,1-4H3,(H2,15,16)
InChIKeyCWDURKVKMXMXGI-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.52
Rot. Bonds7

About 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910782) 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'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910782
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCOc1ccc(CN(C)CC(C)C(N)=NO)cc1OC
InChIInChI=1S/C14H23N3O3/c1-10(14(15)16-18)8-17(2)9-11-5-6-12(19-3)13(7-11)20-4/h5-7,10,18H,8-9H2,1-4H3,(H2,15,16)
InChIKeyCWDURKVKMXMXGI-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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'}

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Related Compounds

3-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanethioamide
CID 54991879
N'-hydroxy-3-[(4-iodophenyl)methyl-methylamino]-2-methylpropanimidamide
CID 77070215
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropan-1-amine
CID 80667582
N'-hydroxy-4-[[2-hydroxypropyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106789378
3-[(3-bromo-4-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910383
3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910346
2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250884
N'-hydroxy-2-methyl-3-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanimidamide
CID 76910796
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 76987745
3-[(2-bromo-5-fluorophenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54992078
1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 62333055
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide (CID 76910782) is 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide is COc1ccc(CN(C)CC(C)C(N)=NO)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is CWDURKVKMXMXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(14(15)16-18)8-17(2)9-11-5-6-12(19-3)13(7-11)20-4/h5-7,10,18H,8-9H2,1-4H3,(H2,15,16).
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 281.36 g/mol, XLogP of 1.52, 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'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).