3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide

C11H14N4O4 — CID 115548497

IUPAC3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
SMILESCNC(=O)CNC(=O)c1cccc(NC)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4/c1-12-8-5-3-4-7(10(8)15(18)19)11(17)14-6-9(16)13-2/h3-5,12H,6H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyCSRXPCFADBBPOX-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.11
Rot. Bonds5

About 3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide

3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide (PubChem CID 115548497) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
PubChem CID115548497
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
SMILESCNC(=O)CNC(=O)c1cccc(NC)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4/c1-12-8-5-3-4-7(10(8)15(18)19)11(17)14-6-9(16)13-2/h3-5,12H,6H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyCSRXPCFADBBPOX-UHFFFAOYSA-N
XLogP0.11
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-amino-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 113333559
3-(methylamino)-2-nitro-N-pentylbenzamide
CID 115548093
3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 115548346
3-(methylamino)-2-nitro-N-(3-sulfamoylpropyl)benzamide
CID 115548695
3-(methylamino)-2-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 115548761
N-[(3-bromothiophen-2-yl)methyl]-3-(methylamino)-2-nitrobenzamide
CID 115549297
3-(methylamino)-2-nitro-N-pentan-2-ylbenzamide
CID 115548112
3-(methylamino)-2-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106408432
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide
CID 18145617
N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide
CID 82950772
N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide
CID 115548321
3-(methylamino)-2-nitro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116788082

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide?
The IUPAC name of 3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide (CID 115548497) is 3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide?
The canonical SMILES for 3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide is CNC(=O)CNC(=O)c1cccc(NC)c1[N+](=O)[O-].
What is the InChIKey of 3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide?
The InChIKey is CSRXPCFADBBPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-12-8-5-3-4-7(10(8)15(18)19)11(17)14-6-9(16)13-2/h3-5,12H,6H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide?
3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide has a molecular weight of 266.26 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide is sourced from PubChem (CID 115548497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).