3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide

C15H23N3O2 — CID 76949126

IUPAC3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide
SMILESCCC1COCCN1C(CC(N)=NO)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-2-13-11-20-9-8-18(13)14(10-15(16)17-19)12-6-4-3-5-7-12/h3-7,13-14,19H,2,8-11H2,1H3,(H2,16,17)
InChIKeyNXWSROFXYFJTFQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.98
Rot. Bonds5

About 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide

3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide (PubChem CID 76949126) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide
PubChem CID76949126
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide
SMILESCCC1COCCN1C(CC(N)=NO)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-2-13-11-20-9-8-18(13)14(10-15(16)17-19)12-6-4-3-5-7-12/h3-7,13-14,19H,2,8-11H2,1H3,(H2,16,17)
InChIKeyNXWSROFXYFJTFQ-UHFFFAOYSA-N
XLogP1.98
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.98
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

1-(3-ethylmorpholin-4-yl)-1-phenylpropan-2-amine
CID 55017138
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
CID 76949180
3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 77000776
2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine
CID 43613063
2-(3-ethylmorpholin-4-yl)-2-pyridin-3-ylethanamine
CID 43612945
2-(3-ethylmorpholin-4-yl)-2-naphthalen-2-ylethanamine
CID 43611864
2-(3-ethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 43611843
2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 79983720
N'-hydroxy-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanimidamide
CID 102883736
2-(3-ethylmorpholin-4-yl)-1-phenylethanamine
CID 43613110
3-(2-ethylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63075093
3-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropanethioamide
CID 62780102

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide?
The IUPAC name of 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide (CID 76949126) is 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide is CCC1COCCN1C(CC(N)=NO)c1ccccc1.
What is the InChIKey of 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide?
The InChIKey is NXWSROFXYFJTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-13-11-20-9-8-18(13)14(10-15(16)17-19)12-6-4-3-5-7-12/h3-7,13-14,19H,2,8-11H2,1H3,(H2,16,17).
What are the key properties of 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide?
3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide has a molecular weight of 277.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 76949126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).