4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide

C13H17N3O5 — CID 102635015

IUPAC4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide
SMILESCC1CNCC(COc2ccc(C(N)=O)cc2[N+](=O)[O-])O1
InChIInChI=1S/C13H17N3O5/c1-8-5-15-6-10(21-8)7-20-12-3-2-9(13(14)17)4-11(12)16(18)19/h2-4,8,10,15H,5-7H2,1H3,(H2,14,17)
InChIKeyINXJBZRIMLFRDO-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.45
Rot. Bonds5

About 4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide

4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide (PubChem CID 102635015) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide.

Molecular Properties

Compound Name4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide
PubChem CID102635015
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide
SMILESCC1CNCC(COc2ccc(C(N)=O)cc2[N+](=O)[O-])O1
InChIInChI=1S/C13H17N3O5/c1-8-5-15-6-10(21-8)7-20-12-3-2-9(13(14)17)4-11(12)16(18)19/h2-4,8,10,15H,5-7H2,1H3,(H2,14,17)
InChIKeyINXJBZRIMLFRDO-UHFFFAOYSA-N
XLogP0.45
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.45
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-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine
CID 102634870
2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine
CID 102634814
2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide
CID 102634953
3-[(6-methylmorpholin-2-yl)methoxy]-2-nitrobenzonitrile
CID 102635172
3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide
CID 102668905
2-methyl-6-[(6-methylmorpholin-2-yl)methoxy]pyridine-4-carboxamide
CID 102635403
4-(2-amino-2-methylpropoxy)-3-nitrobenzamide
CID 64537194
4-(2,2-diethoxyethoxy)-3-nitrobenzamide
CID 63628246
N-methyl-3-nitro-4-(pyrrolidin-3-ylmethoxy)benzamide
CID 82999537
3-nitro-4-(3-oxobutan-2-yloxy)benzamide
CID 62034378
4-(3-cyanopropoxy)-3-nitrobenzamide
CID 56636940
4-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-nitrobenzamide
CID 82713213

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide?
The IUPAC name of 4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide (CID 102635015) is 4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide.
What is the SMILES notation for 4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide?
The canonical SMILES for 4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide is CC1CNCC(COc2ccc(C(N)=O)cc2[N+](=O)[O-])O1.
What is the InChIKey of 4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide?
The InChIKey is INXJBZRIMLFRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-8-5-15-6-10(21-8)7-20-12-3-2-9(13(14)17)4-11(12)16(18)19/h2-4,8,10,15H,5-7H2,1H3,(H2,14,17).
What are the key properties of 4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide?
4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide has a molecular weight of 295.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide is sourced from PubChem (CID 102635015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).