5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide

C13H19N3O3 — CID 62167053

IUPAC5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)N(C)C(C)C)c1
InChIInChI=1S/C13H19N3O3/c1-5-14-10-6-7-12(16(18)19)11(8-10)13(17)15(4)9(2)3/h6-9,14H,5H2,1-4H3
InChIKeyXFVLHFUFXWZIJE-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.51
Rot. Bonds5

About 5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide

5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide (PubChem CID 62167053) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
PubChem CID62167053
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)N(C)C(C)C)c1
InChIInChI=1S/C13H19N3O3/c1-5-14-10-6-7-12(16(18)19)11(8-10)13(17)15(4)9(2)3/h6-9,14H,5H2,1-4H3
InChIKeyXFVLHFUFXWZIJE-UHFFFAOYSA-N
XLogP2.51
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-(ethylamino)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-nitrobenzamide
CID 115987287
N-(2-cyanopropyl)-5-(ethylamino)-N-methyl-2-nitrobenzamide
CID 62180143
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide
CID 55042834
N-ethyl-5-(ethylamino)-2-nitro-N-propylbenzamide
CID 62169452
N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 55051038
N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide
CID 62179542
N-[2-(dimethylamino)ethyl]-5-(ethylamino)-2-nitrobenzamide
CID 62171493
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide
CID 62169978
5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
CID 63863167
5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide
CID 62241474
N-(1-amino-1-oxopropan-2-yl)-5-(ethylamino)-2-nitrobenzamide
CID 62170077
N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide
CID 62173773

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide?
The IUPAC name of 5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide (CID 62167053) is 5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide?
The canonical SMILES for 5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide is CCNc1ccc([N+](=O)[O-])c(C(=O)N(C)C(C)C)c1.
What is the InChIKey of 5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide?
The InChIKey is XFVLHFUFXWZIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-5-14-10-6-7-12(16(18)19)11(8-10)13(17)15(4)9(2)3/h6-9,14H,5H2,1-4H3.
What are the key properties of 5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide?
5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide is sourced from PubChem (CID 62167053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).