N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide

C14H19N3O3 — CID 79680355

IUPACN'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide
SMILESCc1ccccc1CC(=O)N1CCOC(C(N)=NO)C1
InChIInChI=1S/C14H19N3O3/c1-10-4-2-3-5-11(10)8-13(18)17-6-7-20-12(9-17)14(15)16-19/h2-5,12,19H,6-9H2,1H3,(H2,15,16)
InChIKeyABXPCGZZUUWLSB-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.51
Rot. Bonds3

About N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide

N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide (PubChem CID 79680355) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide
PubChem CID79680355
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide
SMILESCc1ccccc1CC(=O)N1CCOC(C(N)=NO)C1
InChIInChI=1S/C14H19N3O3/c1-10-4-2-3-5-11(10)8-13(18)17-6-7-20-12(9-17)14(15)16-19/h2-5,12,19H,6-9H2,1H3,(H2,15,16)
InChIKeyABXPCGZZUUWLSB-UHFFFAOYSA-N
XLogP0.51
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.51
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

2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
N'-hydroxy-4-propanoylmorpholine-2-carboximidamide
CID 79680714
methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79812518
4-butanoyl-N'-hydroxymorpholine-2-carboximidamide
CID 79680443
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777
N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
CID 79680984
4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide
CID 79680362
4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670841
N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide
CID 113355691
N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide
CID 79680609

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide (CID 79680355) is N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide is Cc1ccccc1CC(=O)N1CCOC(C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide?
The InChIKey is ABXPCGZZUUWLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-4-2-3-5-11(10)8-13(18)17-6-7-20-12(9-17)14(15)16-19/h2-5,12,19H,6-9H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide?
N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide has a molecular weight of 277.32 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide is sourced from PubChem (CID 79680355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).