2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide

C16H18N2O2 — CID 11346261

IUPAC2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide
SMILESN/C(=N/OCc1ccccc1)C(O)Cc1ccccc1
InChIInChI=1S/C16H18N2O2/c17-16(15(19)11-13-7-3-1-4-8-13)18-20-12-14-9-5-2-6-10-14/h1-10,15,19H,11-12H2,(H2,17,18)
InChIKeyFRKYXAAGPUJVEE-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.08
Rot. Bonds6

About 2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide

2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide (PubChem CID 11346261) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide.

Molecular Properties

Compound Name2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide
PubChem CID11346261
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide
SMILESN/C(=N/OCc1ccccc1)C(O)Cc1ccccc1
InChIInChI=1S/C16H18N2O2/c17-16(15(19)11-13-7-3-1-4-8-13)18-20-12-14-9-5-2-6-10-14/h1-10,15,19H,11-12H2,(H2,17,18)
InChIKeyFRKYXAAGPUJVEE-UHFFFAOYSA-N
XLogP2.08
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.08
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199
(2E)-2-phenylmethoxyiminobutane-1,3-diol
CID 11138334
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 57487781
benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate
CID 86346378
4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 74062145
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 57487780
N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide
CID 110005958
isocyanato 2-hydroxy-3-phenylpropanoate
CID 140659916
4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 23551915
(Z)-2-methyl-N-phenylmethoxypentan-3-imine
CID 155206279
(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol
CID 11172393

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide?
The IUPAC name of 2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide (CID 11346261) is 2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide.
What is the SMILES notation for 2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide?
The canonical SMILES for 2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide is N/C(=N/OCc1ccccc1)C(O)Cc1ccccc1.
What is the InChIKey of 2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide?
The InChIKey is FRKYXAAGPUJVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-16(15(19)11-13-7-3-1-4-8-13)18-20-12-14-9-5-2-6-10-14/h1-10,15,19H,11-12H2,(H2,17,18).
What are the key properties of 2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide?
2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide has a molecular weight of 270.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide is sourced from PubChem (CID 11346261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).