N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide

C19H19N3O6 — CID 1301225

IUPACN-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide
SMILESO=C(Nc1cccc(OCC(=O)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H19N3O6/c23-18(21-7-9-27-10-8-21)13-28-17-6-2-4-15(12-17)20-19(24)14-3-1-5-16(11-14)22(25)26/h1-6,11-12H,7-10,13H2,(H,20,24)
InChIKeyQBXHRGVBUJMEJJ-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.08
Rot. Bonds6

About N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide

N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide (PubChem CID 1301225) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide
PubChem CID1301225
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC NameN-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide
SMILESO=C(Nc1cccc(OCC(=O)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H19N3O6/c23-18(21-7-9-27-10-8-21)13-28-17-6-2-4-15(12-17)20-19(24)14-3-1-5-16(11-14)22(25)26/h1-6,11-12H,7-10,13H2,(H,20,24)
InChIKeyQBXHRGVBUJMEJJ-UHFFFAOYSA-N
XLogP2.08
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide?
The IUPAC name of N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide (CID 1301225) is N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide?
The canonical SMILES for N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide is O=C(Nc1cccc(OCC(=O)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide?
The InChIKey is QBXHRGVBUJMEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c23-18(21-7-9-27-10-8-21)13-28-17-6-2-4-15(12-17)20-19(24)14-3-1-5-16(11-14)22(25)26/h1-6,11-12H,7-10,13H2,(H,20,24).
What are the key properties of N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide?
N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide has a molecular weight of 385.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 1301225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).