N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide

C15H23N3O3 — CID 106299263

IUPACN'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CNC1(CO)CCOCC1)c1ccccc1
InChIInChI=1S/C15H23N3O3/c16-14(18-20)13(12-4-2-1-3-5-12)10-17-15(11-19)6-8-21-9-7-15/h1-5,13,17,19-20H,6-11H2,(H2,16,18)
InChIKeyDVCIUWWNVGEOLM-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.65
Rot. Bonds6

About N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide

N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide (PubChem CID 106299263) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide
PubChem CID106299263
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CNC1(CO)CCOCC1)c1ccccc1
InChIInChI=1S/C15H23N3O3/c16-14(18-20)13(12-4-2-1-3-5-12)10-17-15(11-19)6-8-21-9-7-15/h1-5,13,17,19-20H,6-11H2,(H2,16,18)
InChIKeyDVCIUWWNVGEOLM-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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Related Compounds

N'-hydroxy-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77043947
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]propanimidamide
CID 103369713
3-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 105913757
3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 106177205
3-fluoro-N'-hydroxy-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide
CID 106299236
3-fluoro-N'-hydroxy-4-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide
CID 106299239
2-fluoro-N'-hydroxy-3-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide
CID 106299244
5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide
CID 106299251
N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide
CID 54258493
N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide
CID 13207804
N'-hydroxy-3-[(1-hydroxy-3-phenylpropan-2-yl)amino]butanimidamide
CID 64331119
N'-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-phenylpropanimidamide
CID 64537481

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide (CID 106299263) is N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide is N/C(=N/O)C(CNC1(CO)CCOCC1)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide?
The InChIKey is DVCIUWWNVGEOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-14(18-20)13(12-4-2-1-3-5-12)10-17-15(11-19)6-8-21-9-7-15/h1-5,13,17,19-20H,6-11H2,(H2,16,18).
What are the key properties of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide?
N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-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-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide is sourced from PubChem (CID 106299263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).