N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide

C15H21N3O6 — CID 2938629

IUPACN-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NCC(O)CN2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O6/c1-23-14-3-2-11(8-13(14)18(21)22)15(20)16-9-12(19)10-17-4-6-24-7-5-17/h2-3,8,12,19H,4-7,9-10H2,1H3,(H,16,20)
InChIKeyDSZTWLYHUIMAAF-UHFFFAOYSA-N
MW339.35 g/mol
LogP0.03
Rot. Bonds7

About N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide

N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide (PubChem CID 2938629) has the molecular formula C15H21N3O6 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide
PubChem CID2938629
Molecular FormulaC15H21N3O6
Molecular Weight339.35 g/mol
Exact Mass339.14
IUPAC NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NCC(O)CN2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O6/c1-23-14-3-2-11(8-13(14)18(21)22)15(20)16-9-12(19)10-17-4-6-24-7-5-17/h2-3,8,12,19H,4-7,9-10H2,1H3,(H,16,20)
InChIKeyDSZTWLYHUIMAAF-UHFFFAOYSA-N
XLogP0.03
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide (CID 2938629) is N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)NCC(O)CN2CCOCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide?
The InChIKey is DSZTWLYHUIMAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6/c1-23-14-3-2-11(8-13(14)18(21)22)15(20)16-9-12(19)10-17-4-6-24-7-5-17/h2-3,8,12,19H,4-7,9-10H2,1H3,(H,16,20).
What are the key properties of N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide?
N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide has a molecular weight of 339.35 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 2938629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).