N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide

C15H25N3O2 — CID 77070449

IUPACN'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
SMILESCOc1ccccc1CC(C)N(C)CCCC(N)=NO
InChIInChI=1S/C15H25N3O2/c1-12(18(2)10-6-9-15(16)17-19)11-13-7-4-5-8-14(13)20-3/h4-5,7-8,12,19H,6,9-11H2,1-3H3,(H2,16,17)
InChIKeyQEECUDKPSCGHEM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.08
Rot. Bonds8

About N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide

N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide (PubChem CID 77070449) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
PubChem CID77070449
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
SMILESCOc1ccccc1CC(C)N(C)CCCC(N)=NO
InChIInChI=1S/C15H25N3O2/c1-12(18(2)10-6-9-15(16)17-19)11-13-7-4-5-8-14(13)20-3/h4-5,7-8,12,19H,6,9-11H2,1-3H3,(H2,16,17)
InChIKeyQEECUDKPSCGHEM-UHFFFAOYSA-N
XLogP2.08
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.08
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-4-[1-(2-methoxyphenyl)propan-2-yl-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

Related Compounds

5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301
4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol
CID 79361996
2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65486323
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
CID 76911443
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454325
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate
CID 65486136
N'-hydroxy-3-(2-methoxyphenoxy)propanimidamide
CID 24696313
3-(diaminomethylidene)-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylguanidine
CID 83035117

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide (CID 77070449) is N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide is COc1ccccc1CC(C)N(C)CCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide?
The InChIKey is QEECUDKPSCGHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(18(2)10-6-9-15(16)17-19)11-13-7-4-5-8-14(13)20-3/h4-5,7-8,12,19H,6,9-11H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide?
N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide has a molecular weight of 279.38 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide is sourced from PubChem (CID 77070449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).