N'-hydroxy-3-(4-methoxyphenyl)propanimidamide

C10H14N2O2 — CID 77069671

IUPACN'-hydroxy-3-(4-methoxyphenyl)propanimidamide
SMILESCOc1ccc(CCC(N)=NO)cc1
InChIInChI=1S/C10H14N2O2/c1-14-9-5-2-8(3-6-9)4-7-10(11)12-13/h2-3,5-6,13H,4,7H2,1H3,(H2,11,12)
InChIKeyGSAHPHCWTOXJJO-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.37
Rot. Bonds4

About N'-hydroxy-3-(4-methoxyphenyl)propanimidamide

N'-hydroxy-3-(4-methoxyphenyl)propanimidamide (PubChem CID 77069671) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N'-hydroxy-3-(4-methoxyphenyl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-methoxyphenyl)propanimidamide
PubChem CID77069671
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN'-hydroxy-3-(4-methoxyphenyl)propanimidamide
SMILESCOc1ccc(CCC(N)=NO)cc1
InChIInChI=1S/C10H14N2O2/c1-14-9-5-2-8(3-6-9)4-7-10(11)12-13/h2-3,5-6,13H,4,7H2,1H3,(H2,11,12)
InChIKeyGSAHPHCWTOXJJO-UHFFFAOYSA-N
XLogP1.37
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)propanimidamide 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-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide
CID 77069695
N'-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanimidamide
CID 54965654
3-(4-chlorophenyl)-N'-hydroxypropanimidamide
CID 91810227
3-(4-fluorophenyl)-N'-hydroxypropanimidamide
CID 140529999
N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide
CID 61420527
N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide
CID 43187755
5-(4-methoxyphenyl)pentanamide
CID 134389506
N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide
CID 114996616
N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide
CID 61362269
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 76910826
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
(4-methoxyphenyl) N'-hydroxycarbamimidate
CID 71376980

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-methoxyphenyl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(4-methoxyphenyl)propanimidamide (CID 77069671) is N'-hydroxy-3-(4-methoxyphenyl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-methoxyphenyl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-methoxyphenyl)propanimidamide is COc1ccc(CCC(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-3-(4-methoxyphenyl)propanimidamide?
The InChIKey is GSAHPHCWTOXJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-14-9-5-2-8(3-6-9)4-7-10(11)12-13/h2-3,5-6,13H,4,7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-(4-methoxyphenyl)propanimidamide?
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide has a molecular weight of 194.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-methoxyphenyl)propanimidamide is sourced from PubChem (CID 77069671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).