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

C15H21N3O3 — CID 76975476

IUPAC3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
SMILESCC1(C)CN(C(=O)C(C(N)=NO)c2ccccc2)CCO1
InChIInChI=1S/C15H21N3O3/c1-15(2)10-18(8-9-21-15)14(19)12(13(16)17-20)11-6-4-3-5-7-11/h3-7,12,20H,8-10H2,1-2H3,(H2,16,17)
InChIKeyCWZMRAGZLUAVIE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.15
Rot. Bonds3

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

3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide (PubChem CID 76975476) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
PubChem CID76975476
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
SMILESCC1(C)CN(C(=O)C(C(N)=NO)c2ccccc2)CCO1
InChIInChI=1S/C15H21N3O3/c1-15(2)10-18(8-9-21-15)14(19)12(13(16)17-20)11-6-4-3-5-7-11/h3-7,12,20H,8-10H2,1-2H3,(H2,16,17)
InChIKeyCWZMRAGZLUAVIE-UHFFFAOYSA-N
XLogP1.15
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.15
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

3-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 77016553
3-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 79180897
1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone
CID 55763984
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119294272
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 61202574
3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 76975484
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 104983964
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 115561045
N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide
CID 76975453
3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43593165
1-(2,2-dimethylmorpholin-4-yl)-2-(3-propan-2-ylphenoxy)propan-1-one
CID 55796284
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61202030

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide?
The IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide (CID 76975476) is 3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide.
What is the SMILES notation for 3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide?
The canonical SMILES for 3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide is CC1(C)CN(C(=O)C(C(N)=NO)c2ccccc2)CCO1.
What is the InChIKey of 3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide?
The InChIKey is CWZMRAGZLUAVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2)10-18(8-9-21-15)14(19)12(13(16)17-20)11-6-4-3-5-7-11/h3-7,12,20H,8-10H2,1-2H3,(H2,16,17).
What are the key properties of 3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide?
3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide has a molecular weight of 291.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide is sourced from PubChem (CID 76975476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).