N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide

C13H17N3O4 — CID 79680362

IUPACN'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide
SMILESCOc1ccccc1C(=O)N1CCOC(C(N)=NO)C1
InChIInChI=1S/C13H17N3O4/c1-19-10-5-3-2-4-9(10)13(17)16-6-7-20-11(8-16)12(14)15-18/h2-5,11,18H,6-8H2,1H3,(H2,14,15)
InChIKeyJDLZABMLNPNWAR-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.28
Rot. Bonds3

About N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide

N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide (PubChem CID 79680362) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide
PubChem CID79680362
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide
SMILESCOc1ccccc1C(=O)N1CCOC(C(N)=NO)C1
InChIInChI=1S/C13H17N3O4/c1-19-10-5-3-2-4-9(10)13(17)16-6-7-20-11(8-16)12(14)15-18/h2-5,11,18H,6-8H2,1H3,(H2,14,15)
InChIKeyJDLZABMLNPNWAR-UHFFFAOYSA-N
XLogP0.28
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.28
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

4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670841
N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
CID 79680984
4-(2-bromo-5-methoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670839
4-(2-hydroxy-3-methoxybenzoyl)morpholine-2-carbothioamide
CID 79674577
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-2-carboxylate
CID 115533238
(2-methoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110326509
N'-hydroxy-4-(2-methylpyrazole-3-carbonyl)morpholine-2-carboximidamide
CID 79680892
N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide
CID 79680609
methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate
CID 115533203
(2,5-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methanone
CID 110727631
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(2-methoxyphenyl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246249

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide (CID 79680362) is N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide is COc1ccccc1C(=O)N1CCOC(C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide?
The InChIKey is JDLZABMLNPNWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-19-10-5-3-2-4-9(10)13(17)16-6-7-20-11(8-16)12(14)15-18/h2-5,11,18H,6-8H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide?
N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide has a molecular weight of 279.30 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79680362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).