3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide

C13H19N3O4 — CID 82988884

IUPAC3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])c(NCCOCC)c1
InChIInChI=1S/C13H19N3O4/c1-3-14-13(17)10-5-6-12(16(18)19)11(9-10)15-7-8-20-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,14,17)
InChIKeyYSUIDCYVZKLBAR-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.79
Rot. Bonds8

About 3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide

3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide (PubChem CID 82988884) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide.

Molecular Properties

Compound Name3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide
PubChem CID82988884
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])c(NCCOCC)c1
InChIInChI=1S/C13H19N3O4/c1-3-14-13(17)10-5-6-12(16(18)19)11(9-10)15-7-8-20-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,14,17)
InChIKeyYSUIDCYVZKLBAR-UHFFFAOYSA-N
XLogP1.79
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-ethyl-3-[2-(methylamino)ethylamino]-4-nitrobenzamide
CID 82988821
N-ethyl-4-nitro-3-[2-(propylamino)ethylamino]benzamide
CID 82990107
N-ethyl-3-(3-hydroxybutylamino)-4-nitrobenzamide
CID 82988616
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
N-(2-ethoxyethyl)-3-nitro-4-(propylamino)benzamide
CID 62186883
N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62683031
3-(3-ethoxypropylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82990387
3-(2-butoxyethylamino)-N-methyl-4-nitrobenzamide
CID 82992838
N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide
CID 81062921
N-ethyl-4-nitro-3-(2-prop-2-ynylsulfanylethylamino)benzamide
CID 106430353
3-(ethylamino)-N-(2-methylsulfonylethyl)-4-nitrobenzamide
CID 62681723
4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82991065

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide?
The IUPAC name of 3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide (CID 82988884) is 3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide.
What is the SMILES notation for 3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide?
The canonical SMILES for 3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide is CCNC(=O)c1ccc([N+](=O)[O-])c(NCCOCC)c1.
What is the InChIKey of 3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide?
The InChIKey is YSUIDCYVZKLBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-14-13(17)10-5-6-12(16(18)19)11(9-10)15-7-8-20-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,14,17).
What are the key properties of 3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide?
3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide has a molecular weight of 281.31 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide is sourced from PubChem (CID 82988884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).