N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide

C14H21N3O3 — CID 107109442

IUPACN'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1N1CC(CO)OCC1C
InChIInChI=1S/C14H21N3O3/c1-9-4-3-5-12(14(15)16-19)13(9)17-6-11(7-18)20-8-10(17)2/h3-5,10-11,18-19H,6-8H2,1-2H3,(H2,15,16)
InChIKeyITNRFCVQABEHBL-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.68
Rot. Bonds3

About N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide

N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide (PubChem CID 107109442) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide
PubChem CID107109442
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1N1CC(CO)OCC1C
InChIInChI=1S/C14H21N3O3/c1-9-4-3-5-12(14(15)16-19)13(9)17-6-11(7-18)20-8-10(17)2/h3-5,10-11,18-19H,6-8H2,1-2H3,(H2,15,16)
InChIKeyITNRFCVQABEHBL-UHFFFAOYSA-N
XLogP0.68
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
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'}

Analyze N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109406
2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
CID 81203511
N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide
CID 81203418
[4-(6-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81218480
[4-[4-(aminomethyl)-2,6-difluorophenyl]-5-methylmorpholin-2-yl]methanol
CID 81204114
N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]benzenecarboximidamide
CID 81198524
[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol
CID 81206068
[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
CID 81206220
[4-(6-bromo-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81208358
6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-2-carbothioamide
CID 81203310
4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 81202788
2-chloro-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 81202967

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide (CID 107109442) is N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1N1CC(CO)OCC1C.
What is the InChIKey of N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide?
The InChIKey is ITNRFCVQABEHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-4-3-5-12(14(15)16-19)13(9)17-6-11(7-18)20-8-10(17)2/h3-5,10-11,18-19H,6-8H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide?
N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide has a molecular weight of 279.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).