3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide

C15H23N3O2 — CID 77043553

IUPAC3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide
SMILESCC1CN(CC(C(N)=NO)c2ccccc2)CC(C)O1
InChIInChI=1S/C15H23N3O2/c1-11-8-18(9-12(2)20-11)10-14(15(16)17-19)13-6-4-3-5-7-13/h3-7,11-12,14,19H,8-10H2,1-2H3,(H2,16,17)
InChIKeyLAKWMWDMCBCMJK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.63
Rot. Bonds4

About 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide

3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide (PubChem CID 77043553) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide
PubChem CID77043553
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide
SMILESCC1CN(CC(C(N)=NO)c2ccccc2)CC(C)O1
InChIInChI=1S/C15H23N3O2/c1-11-8-18(9-12(2)20-11)10-14(15(16)17-19)13-6-4-3-5-7-13/h3-7,11-12,14,19H,8-10H2,1-2H3,(H2,16,17)
InChIKeyLAKWMWDMCBCMJK-UHFFFAOYSA-N
XLogP1.63
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
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

N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide
CID 102958325
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
CID 103936768
(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide
CID 77043598
4-amino-N'-hydroxy-2-phenylbutanimidamide
CID 141138558
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine
CID 104959145
3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide
CID 79188347
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethyl]propan-1-amine
CID 104958381
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
[4-(3-amino-2-methyl-3-phenylpropyl)-6-methylmorpholin-2-yl]methanol
CID 102936336
N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide
CID 82728703
1-(2,6-dimethylmorpholin-4-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56799359

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide (CID 77043553) is 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide is CC1CN(CC(C(N)=NO)c2ccccc2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide?
The InChIKey is LAKWMWDMCBCMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-8-18(9-12(2)20-11)10-14(15(16)17-19)13-6-4-3-5-7-13/h3-7,11-12,14,19H,8-10H2,1-2H3,(H2,16,17).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide?
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide has a molecular weight of 277.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide is sourced from PubChem (CID 77043553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).