N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide

C13H20N4O4 — CID 79378491

IUPACN-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C13H20N4O4/c1-4-16(8-13(2,3)19)12(18)9-5-6-11(17(20)21)10(7-9)15-14/h5-7,15,19H,4,8,14H2,1-3H3
InChIKeyBASRAENJMSLKOA-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.11
Rot. Bonds6

About N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide

N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide (PubChem CID 79378491) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide
PubChem CID79378491
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC NameN-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C13H20N4O4/c1-4-16(8-13(2,3)19)12(18)9-5-6-11(17(20)21)10(7-9)15-14/h5-7,15,19H,4,8,14H2,1-3H3
InChIKeyBASRAENJMSLKOA-UHFFFAOYSA-N
XLogP1.11
TPSA121.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-(2-cyanopropyl)-N-ethyl-3-hydrazinyl-4-nitrobenzamide
CID 62680537
N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)-3-nitrobenzamide
CID 79380403
3-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-nitrobenzamide
CID 79379535
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 62236416
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 115549684
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide
CID 65042968
3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide
CID 62680724
3-bromo-N,N-diethyl-4-nitrobenzamide
CID 118246728
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide
CID 62856100
N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
CID 79386429
ethyl 3-[4-(diethylcarbamoyl)-2-nitroanilino]propanoate
CID 22181355

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide?
The IUPAC name of N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide (CID 79378491) is N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide.
What is the SMILES notation for N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide?
The canonical SMILES for N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide is CCN(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide?
The InChIKey is BASRAENJMSLKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-4-16(8-13(2,3)19)12(18)9-5-6-11(17(20)21)10(7-9)15-14/h5-7,15,19H,4,8,14H2,1-3H3.
What are the key properties of N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide?
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide has a molecular weight of 296.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide is sourced from PubChem (CID 79378491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).