N'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide

C12H19N3O2 — CID 64537894

IUPACN'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CNCCCO)c1ccccc1
InChIInChI=1S/C12H19N3O2/c13-12(15-17)11(9-14-7-4-8-16)10-5-2-1-3-6-10/h1-3,5-6,11,14,16-17H,4,7-9H2,(H2,13,15)
InChIKeyQAXZJFMURAMTMB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.49
Rot. Bonds7

About N'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide

N'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide (PubChem CID 64537894) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide
PubChem CID64537894
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CNCCCO)c1ccccc1
InChIInChI=1S/C12H19N3O2/c13-12(15-17)11(9-14-7-4-8-16)10-5-2-1-3-6-10/h1-3,5-6,11,14,16-17H,4,7-9H2,(H2,13,15)
InChIKeyQAXZJFMURAMTMB-UHFFFAOYSA-N
XLogP0.49
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide (CID 64537894) is N'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide is N/C(=N/O)C(CNCCCO)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide?
The InChIKey is QAXZJFMURAMTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-12(15-17)11(9-14-7-4-8-16)10-5-2-1-3-6-10/h1-3,5-6,11,14,16-17H,4,7-9H2,(H2,13,15).
What are the key properties of N'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide?
N'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide has a molecular weight of 237.30 g/mol, XLogP of 0.49, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-hydroxypropylamino)-2-phenylpropanimidamide is sourced from PubChem (CID 64537894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).