4-methoxy-N-morpholin-4-yl-3-nitrobenzamide

C12H15N3O5 — CID 2970287

IUPAC4-methoxy-N-morpholin-4-yl-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NN2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O5/c1-19-11-3-2-9(8-10(11)15(17)18)12(16)13-14-4-6-20-7-5-14/h2-3,8H,4-7H2,1H3,(H,13,16)
InChIKeyQJSBAAJNHYFGSG-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.58
Rot. Bonds4

About 4-methoxy-N-morpholin-4-yl-3-nitrobenzamide

4-methoxy-N-morpholin-4-yl-3-nitrobenzamide (PubChem CID 2970287) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-methoxy-N-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound Name4-methoxy-N-morpholin-4-yl-3-nitrobenzamide
PubChem CID2970287
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name4-methoxy-N-morpholin-4-yl-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NN2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O5/c1-19-11-3-2-9(8-10(11)15(17)18)12(16)13-14-4-6-20-7-5-14/h2-3,8H,4-7H2,1H3,(H,13,16)
InChIKeyQJSBAAJNHYFGSG-UHFFFAOYSA-N
XLogP0.58
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.58
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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Related Compounds

4-methoxy-3-nitro-N-phenylbenzamide
CID 7331
Benzamide, 4-methoxy-3-nitro-
CID 82603
4-methoxy-3-nitro-N-phenethylbenzamide
CID 823655
N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide
CID 2938629
N-[2-(1-cyclohexen-1-yl)ethyl]-4-methoxy-3-nitrobenzamide
CID 888375
4-methoxy-3-nitro-N-(1-piperidinylcarbonothioyl)benzamide
CID 2901469
4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide
CID 880223
4-Methoxy-N-methyl-3-nitrobenzamide
CID 786944
4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide
CID 833818
4-methoxy-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamide
CID 1291680
4-{4-[2-Nitro-4-(trifluoromethyl)phenoxy]benzoyl}morpholine
CID 1340484
4-Methoxy-3-nitrophenyl 4-(2-phenylethyl)piperazinyl ketone
CID 2970531

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of 4-methoxy-N-morpholin-4-yl-3-nitrobenzamide (CID 2970287) is 4-methoxy-N-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for 4-methoxy-N-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for 4-methoxy-N-morpholin-4-yl-3-nitrobenzamide is COc1ccc(C(=O)NN2CCOCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-N-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is QJSBAAJNHYFGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-19-11-3-2-9(8-10(11)15(17)18)12(16)13-14-4-6-20-7-5-14/h2-3,8H,4-7H2,1H3,(H,13,16).
What are the key properties of 4-methoxy-N-morpholin-4-yl-3-nitrobenzamide?
4-methoxy-N-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 281.27 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 2970287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).