2-amino-N-(2-ethylbutyl)-3-nitrobenzamide

C13H19N3O3 — CID 115678977

IUPAC2-amino-N-(2-ethylbutyl)-3-nitrobenzamide
SMILESCCC(CC)CNC(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C13H19N3O3/c1-3-9(4-2)8-15-13(17)10-6-5-7-11(12(10)14)16(18)19/h5-7,9H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyDOVVTSGBLXGXSM-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.34
Rot. Bonds6

About 2-amino-N-(2-ethylbutyl)-3-nitrobenzamide

2-amino-N-(2-ethylbutyl)-3-nitrobenzamide (PubChem CID 115678977) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-N-(2-ethylbutyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-ethylbutyl)-3-nitrobenzamide
PubChem CID115678977
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-amino-N-(2-ethylbutyl)-3-nitrobenzamide
SMILESCCC(CC)CNC(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C13H19N3O3/c1-3-9(4-2)8-15-13(17)10-6-5-7-11(12(10)14)16(18)19/h5-7,9H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyDOVVTSGBLXGXSM-UHFFFAOYSA-N
XLogP2.34
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120827594
2-amino-N-(2-ethylbutyl)-6-fluoro-3-nitrobenzamide
CID 107123381
2-amino-N-(3-ethylpentan-2-yl)-3-nitrobenzamide
CID 115679021
2-amino-3-nitro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 115678974
2-amino-3-nitro-N-octylbenzamide
CID 115936915
2-amino-N-(3-ethoxypropyl)-3-nitrobenzamide
CID 112696624
2-amino-N-(3-methylsulfinylbutyl)-3-nitrobenzamide
CID 115729440
2-amino-N-butan-2-yl-N-ethyl-3-nitrobenzamide
CID 112580586
2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 112699109
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide
CID 110000875
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitrobenzamide
CID 103733778
2-amino-3-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 103732898

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylbutyl)-3-nitrobenzamide?
The IUPAC name of 2-amino-N-(2-ethylbutyl)-3-nitrobenzamide (CID 115678977) is 2-amino-N-(2-ethylbutyl)-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(2-ethylbutyl)-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-(2-ethylbutyl)-3-nitrobenzamide is CCC(CC)CNC(=O)c1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-N-(2-ethylbutyl)-3-nitrobenzamide?
The InChIKey is DOVVTSGBLXGXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-9(4-2)8-15-13(17)10-6-5-7-11(12(10)14)16(18)19/h5-7,9H,3-4,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-(2-ethylbutyl)-3-nitrobenzamide?
2-amino-N-(2-ethylbutyl)-3-nitrobenzamide has a molecular weight of 265.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylbutyl)-3-nitrobenzamide is sourced from PubChem (CID 115678977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).