N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide

C15H23N3O3 — CID 106101879

IUPACN'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide
SMILESCC1OCCC1(O)CNCC(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H23N3O3/c1-11-15(19,7-8-21-11)10-17-9-13(14(16)18-20)12-5-3-2-4-6-12/h2-6,11,13,17,19-20H,7-10H2,1H3,(H2,16,18)
InChIKeyRXMJKWTYCKXEDP-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.65
Rot. Bonds6

About N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide

N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide (PubChem CID 106101879) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide
PubChem CID106101879
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide
SMILESCC1OCCC1(O)CNCC(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H23N3O3/c1-11-15(19,7-8-21-11)10-17-9-13(14(16)18-20)12-5-3-2-4-6-12/h2-6,11,13,17,19-20H,7-10H2,1H3,(H2,16,18)
InChIKeyRXMJKWTYCKXEDP-UHFFFAOYSA-N
XLogP0.65
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.65
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide (CID 106101879) is N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide is CC1OCCC1(O)CNCC(/C(N)=N/O)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide?
The InChIKey is RXMJKWTYCKXEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-15(19,7-8-21-11)10-17-9-13(14(16)18-20)12-5-3-2-4-6-12/h2-6,11,13,17,19-20H,7-10H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide?
N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide has a molecular weight of 293.37 g/mol, XLogP of 0.65, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide is sourced from PubChem (CID 106101879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).