5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide

C13H19N3O3 — CID 55042834

IUPAC5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)NCC(C)C)c1
InChIInChI=1S/C13H19N3O3/c1-4-14-10-5-6-12(16(18)19)11(7-10)13(17)15-8-9(2)3/h5-7,9,14H,4,8H2,1-3H3,(H,15,17)
InChIKeyVRZANKLFWOFUEI-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.41
Rot. Bonds6

About 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide

5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide (PubChem CID 55042834) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide
PubChem CID55042834
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)NCC(C)C)c1
InChIInChI=1S/C13H19N3O3/c1-4-14-10-5-6-12(16(18)19)11(7-10)13(17)15-8-9(2)3/h5-7,9,14H,4,8H2,1-3H3,(H,15,17)
InChIKeyVRZANKLFWOFUEI-UHFFFAOYSA-N
XLogP2.41
TPSA84.27 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 ≤ 52.41
H-Bond Donors ≤ 52
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

N-(1-amino-1-oxopropan-2-yl)-5-(ethylamino)-2-nitrobenzamide
CID 62170077
N-[2-(dimethylamino)ethyl]-5-(ethylamino)-2-nitrobenzamide
CID 62171493
5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
CID 62167053
5-(ethylamino)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-nitrobenzamide
CID 115987287
5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 62176193
5-(ethylamino)-N-(2-methylcyclopropyl)-2-nitrobenzamide
CID 62408662
N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide
CID 113478196
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide
CID 62150204
5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide
CID 83016700
N-(2-cyanopropyl)-5-(ethylamino)-N-methyl-2-nitrobenzamide
CID 62180143
N-ethyl-5-(ethylamino)-2-nitro-N-propylbenzamide
CID 62169452
5-methyl-N-(2-methylbutyl)-2-nitrobenzamide
CID 117062719

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide?
The IUPAC name of 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide (CID 55042834) is 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide.
What is the SMILES notation for 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide?
The canonical SMILES for 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide is CCNc1ccc([N+](=O)[O-])c(C(=O)NCC(C)C)c1.
What is the InChIKey of 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide?
The InChIKey is VRZANKLFWOFUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-14-10-5-6-12(16(18)19)11(7-10)13(17)15-8-9(2)3/h5-7,9,14H,4,8H2,1-3H3,(H,15,17).
What are the key properties of 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide?
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide has a molecular weight of 265.31 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide is sourced from PubChem (CID 55042834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).