3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide

C14H19N3O6 — CID 11759169

IUPAC3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide
SMILESCOc1ccc(OC)c([N+](=O)[O-])c1C(=O)NCN1CCOCC1
InChIInChI=1S/C14H19N3O6/c1-21-10-3-4-11(22-2)13(17(19)20)12(10)14(18)15-9-16-5-7-23-8-6-16/h3-4H,5-9H2,1-2H3,(H,15,18)
InChIKeyGOGNFYVAMZHORM-UHFFFAOYSA-N
MW325.32 g/mol
LogP0.63
Rot. Bonds6

About 3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide

3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide (PubChem CID 11759169) has the molecular formula C14H19N3O6 and a molecular weight of 325.32 g/mol. Its IUPAC name is 3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide
PubChem CID11759169
Molecular FormulaC14H19N3O6
Molecular Weight325.32 g/mol
Exact Mass325.13
IUPAC Name3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide
SMILESCOc1ccc(OC)c([N+](=O)[O-])c1C(=O)NCN1CCOCC1
InChIInChI=1S/C14H19N3O6/c1-21-10-3-4-11(22-2)13(17(19)20)12(10)14(18)15-9-16-5-7-23-8-6-16/h3-4H,5-9H2,1-2H3,(H,15,18)
InChIKeyGOGNFYVAMZHORM-UHFFFAOYSA-N
XLogP0.63
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
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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Related Compounds

2-methoxy-N-(morpholin-4-ylmethylcarbamoyl)benzamide
CID 3054155
2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 9481549
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide
CID 110444205
1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 2807054
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518532
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5344300
3-methoxy-2-nitro-N-[2-(1,4-oxazepan-4-yl)ethyl]aniline
CID 122142092
4-methoxy-3-nitrophthalic acid
CID 22663212
2-morpholin-4-yl-1-(2,3,5,6-tetramethyl-4-nitrophenyl)ethanone;hydrochloride
CID 134110400
1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
CID 19480855

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide?
The IUPAC name of 3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide (CID 11759169) is 3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide.
What is the SMILES notation for 3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide?
The canonical SMILES for 3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide is COc1ccc(OC)c([N+](=O)[O-])c1C(=O)NCN1CCOCC1.
What is the InChIKey of 3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide?
The InChIKey is GOGNFYVAMZHORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6/c1-21-10-3-4-11(22-2)13(17(19)20)12(10)14(18)15-9-16-5-7-23-8-6-16/h3-4H,5-9H2,1-2H3,(H,15,18).
What are the key properties of 3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide?
3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide has a molecular weight of 325.32 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-N-(morpholin-4-ylmethyl)-2-nitrobenzamide is sourced from PubChem (CID 11759169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).