4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide

C14H19N3O4 — CID 79670841

IUPAC4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
SMILESCCOc1ccccc1C(=O)N1CCOC(C(N)=NO)C1
InChIInChI=1S/C14H19N3O4/c1-2-20-11-6-4-3-5-10(11)14(18)17-7-8-21-12(9-17)13(15)16-19/h3-6,12,19H,2,7-9H2,1H3,(H2,15,16)
InChIKeyPZRGMGWKMRXJFK-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.67
Rot. Bonds4

About 4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide

4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide (PubChem CID 79670841) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
PubChem CID79670841
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
SMILESCCOc1ccccc1C(=O)N1CCOC(C(N)=NO)C1
InChIInChI=1S/C14H19N3O4/c1-2-20-11-6-4-3-5-10(11)14(18)17-7-8-21-12(9-17)13(15)16-19/h3-6,12,19H,2,7-9H2,1H3,(H2,15,16)
InChIKeyPZRGMGWKMRXJFK-UHFFFAOYSA-N
XLogP0.67
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methoxybenzoyl)morpholine-2-carboximidamide
CID 79680362
N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
CID 79680984
1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041537
4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid
CID 119238984
(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid
CID 125154179
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone
CID 103576058
4-(2-bromo-5-methoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670839
N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide
CID 79680355
N'-hydroxy-4-propanoylmorpholine-2-carboximidamide
CID 79680714
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239609
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-ethoxyphenyl)methanone
CID 102938261

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide?
The IUPAC name of 4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide (CID 79670841) is 4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide.
What is the SMILES notation for 4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide?
The canonical SMILES for 4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide is CCOc1ccccc1C(=O)N1CCOC(C(N)=NO)C1.
What is the InChIKey of 4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide?
The InChIKey is PZRGMGWKMRXJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-20-11-6-4-3-5-10(11)14(18)17-7-8-21-12(9-17)13(15)16-19/h3-6,12,19H,2,7-9H2,1H3,(H2,15,16).
What are the key properties of 4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide?
4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide has a molecular weight of 293.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide is sourced from PubChem (CID 79670841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).