2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide

C13H17N3O5 — CID 103800166

IUPAC2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide
SMILESCN1CCOC(CNC(=O)c2cccc([N+](=O)[O-])c2O)C1
InChIInChI=1S/C13H17N3O5/c1-15-5-6-21-9(8-15)7-14-13(18)10-3-2-4-11(12(10)17)16(19)20/h2-4,9,17H,5-8H2,1H3,(H,14,18)
InChIKeyCYKJGIKUGDTSPV-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.36
Rot. Bonds4

About 2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide

2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide (PubChem CID 103800166) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide
PubChem CID103800166
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide
SMILESCN1CCOC(CNC(=O)c2cccc([N+](=O)[O-])c2O)C1
InChIInChI=1S/C13H17N3O5/c1-15-5-6-21-9(8-15)7-14-13(18)10-3-2-4-11(12(10)17)16(19)20/h2-4,9,17H,5-8H2,1H3,(H,14,18)
InChIKeyCYKJGIKUGDTSPV-UHFFFAOYSA-N
XLogP0.36
TPSA104.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide
CID 103800178
2-fluoro-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 80712225
2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-5-nitrobenzamide
CID 79078973
2-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitrobenzamide
CID 103800126
2-hydroxy-N-(1-methylpyrrolidin-3-yl)-3-nitrobenzamide
CID 103800110
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223
N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 79082124
2-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-3-nitrobenzamide
CID 115930947
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-hydroxy-3-nitrobenzamide
CID 99628312
2-chloro-6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094194
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094449
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide?
The IUPAC name of 2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide (CID 103800166) is 2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide.
What is the SMILES notation for 2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide?
The canonical SMILES for 2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide is CN1CCOC(CNC(=O)c2cccc([N+](=O)[O-])c2O)C1.
What is the InChIKey of 2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide?
The InChIKey is CYKJGIKUGDTSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-15-5-6-21-9(8-15)7-14-13(18)10-3-2-4-11(12(10)17)16(19)20/h2-4,9,17H,5-8H2,1H3,(H,14,18).
What are the key properties of 2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide?
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide has a molecular weight of 295.29 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 103800166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).