N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide

C14H21N3O4 — CID 79670529

IUPACN'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide
SMILESCOc1ccc(OCCN2CCOC(C(N)=NO)C2)cc1
InChIInChI=1S/C14H21N3O4/c1-19-11-2-4-12(5-3-11)20-8-6-17-7-9-21-13(10-17)14(15)16-18/h2-5,13,18H,6-10H2,1H3,(H2,15,16)
InChIKeyOSGQBLYFYAHDMF-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.52
Rot. Bonds6

About N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide

N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide (PubChem CID 79670529) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide
PubChem CID79670529
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide
SMILESCOc1ccc(OCCN2CCOC(C(N)=NO)C2)cc1
InChIInChI=1S/C14H21N3O4/c1-19-11-2-4-12(5-3-11)20-8-6-17-7-9-21-13(10-17)14(15)16-18/h2-5,13,18H,6-10H2,1H3,(H2,15,16)
InChIKeyOSGQBLYFYAHDMF-UHFFFAOYSA-N
XLogP0.52
TPSA89.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide
CID 79680423
2-[(2S)-2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979640
N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide
CID 79681239
N'-hydroxy-4-(4-methylpentyl)morpholine-2-carboximidamide
CID 83158543
4-(2-cyclopropylethyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79680425
4-[(3-bromo-4-methoxyphenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 79680600
(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238
N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide
CID 79681146
4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile
CID 92983510
4-(2-bromo-5-methoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670839
1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one
CID 114500510
methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate
CID 78926387

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide (CID 79670529) is N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide is COc1ccc(OCCN2CCOC(C(N)=NO)C2)cc1.
What is the InChIKey of N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide?
The InChIKey is OSGQBLYFYAHDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-19-11-2-4-12(5-3-11)20-8-6-17-7-9-21-13(10-17)14(15)16-18/h2-5,13,18H,6-10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide?
N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide has a molecular weight of 295.34 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide is sourced from PubChem (CID 79670529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).