N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide

C14H21N3O2 — CID 77028831

IUPACN'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide
SMILESNC(CC(NC1CCOCC1)c1ccccc1)=NO
InChIInChI=1S/C14H21N3O2/c15-14(17-18)10-13(11-4-2-1-3-5-11)16-12-6-8-19-9-7-12/h1-5,12-13,16,18H,6-10H2,(H2,15,17)
InChIKeyQBYOMCBVPQHJGO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.63
Rot. Bonds5

About N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide

N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide (PubChem CID 77028831) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide
PubChem CID77028831
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide
SMILESNC(CC(NC1CCOCC1)c1ccccc1)=NO
InChIInChI=1S/C14H21N3O2/c15-14(17-18)10-13(11-4-2-1-3-5-11)16-12-6-8-19-9-7-12/h1-5,12-13,16,18H,6-10H2,(H2,15,17)
InChIKeyQBYOMCBVPQHJGO-UHFFFAOYSA-N
XLogP1.63
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77045515
N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide
CID 77031802
3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 79878175
3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77029618
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81389056
3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 77099063
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide
CID 106101829
N-(1-phenylethyl)oxan-4-amine
CID 43608319
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide
CID 80713268
3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77120050

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide (CID 77028831) is N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide is NC(CC(NC1CCOCC1)c1ccccc1)=NO.
What is the InChIKey of N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide?
The InChIKey is QBYOMCBVPQHJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(17-18)10-13(11-4-2-1-3-5-11)16-12-6-8-19-9-7-12/h1-5,12-13,16,18H,6-10H2,(H2,15,17).
What are the key properties of N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide?
N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide has a molecular weight of 263.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide is sourced from PubChem (CID 77028831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).