N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide

C13H19N3O4 — CID 62179542

IUPACN-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)N(CC)CCO)c1
InChIInChI=1S/C13H19N3O4/c1-3-14-10-5-6-12(16(19)20)11(9-10)13(18)15(4-2)7-8-17/h5-6,9,14,17H,3-4,7-8H2,1-2H3
InChIKeyUCKJPHAXFOGBBH-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.48
Rot. Bonds7

About N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide

N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide (PubChem CID 62179542) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide
PubChem CID62179542
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)N(CC)CCO)c1
InChIInChI=1S/C13H19N3O4/c1-3-14-10-5-6-12(16(19)20)11(9-10)13(18)15(4-2)7-8-17/h5-6,9,14,17H,3-4,7-8H2,1-2H3
InChIKeyUCKJPHAXFOGBBH-UHFFFAOYSA-N
XLogP1.48
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
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

N-ethyl-5-(ethylamino)-2-nitro-N-propylbenzamide
CID 62169452
N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide
CID 62173773
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide
CID 62169978
5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
CID 62167053
N-[2-(dimethylamino)ethyl]-5-(ethylamino)-2-nitrobenzamide
CID 62171493
5-(ethylamino)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-nitrobenzamide
CID 115987287
5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
CID 63863167
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide
CID 55042834
N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
CID 63939145
N-(2-cyanopropyl)-5-(ethylamino)-N-methyl-2-nitrobenzamide
CID 62180143
N,N-diethyl-5-hydroxy-2-nitrobenzamide
CID 102740327
3-[ethyl-(5-fluoro-2-nitrobenzoyl)amino]propanoic acid
CID 61006784

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide?
The IUPAC name of N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide (CID 62179542) is N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide.
What is the SMILES notation for N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide?
The canonical SMILES for N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide is CCNc1ccc([N+](=O)[O-])c(C(=O)N(CC)CCO)c1.
What is the InChIKey of N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide?
The InChIKey is UCKJPHAXFOGBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-14-10-5-6-12(16(19)20)11(9-10)13(18)15(4-2)7-8-17/h5-6,9,14,17H,3-4,7-8H2,1-2H3.
What are the key properties of N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide?
N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide has a molecular weight of 281.31 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide is sourced from PubChem (CID 62179542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).