3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide

C12H18N4O3 — CID 62680724

IUPAC3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide
SMILESCC(C)CN(C)C(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C12H18N4O3/c1-8(2)7-15(3)12(17)9-4-5-11(16(18)19)10(6-9)14-13/h4-6,8,14H,7,13H2,1-3H3
InChIKeyAIEJUABNIIUIIH-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.61
Rot. Bonds5

About 3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide

3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide (PubChem CID 62680724) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide
PubChem CID62680724
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide
SMILESCC(C)CN(C)C(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C12H18N4O3/c1-8(2)7-15(3)12(17)9-4-5-11(16(18)19)10(6-9)14-13/h4-6,8,14H,7,13H2,1-3H3
InChIKeyAIEJUABNIIUIIH-UHFFFAOYSA-N
XLogP1.61
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide
CID 62856100
N-(2-cyanopropyl)-N-ethyl-3-hydrazinyl-4-nitrobenzamide
CID 62680537
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide
CID 79378491
N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide
CID 82990644
3-hydrazinyl-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62682884
3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide
CID 63961052
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide
CID 62241366
3-[(2-amino-3-hydroxybutyl)amino]-N,N-dimethyl-4-nitrobenzamide
CID 82990915
N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide
CID 65042968
3-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-nitrobenzamide
CID 79379535
4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide
CID 79845633

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide?
The IUPAC name of 3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide (CID 62680724) is 3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide.
What is the SMILES notation for 3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide?
The canonical SMILES for 3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide is CC(C)CN(C)C(=O)c1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of 3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide?
The InChIKey is AIEJUABNIIUIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8(2)7-15(3)12(17)9-4-5-11(16(18)19)10(6-9)14-13/h4-6,8,14H,7,13H2,1-3H3.
What are the key properties of 3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide?
3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide has a molecular weight of 266.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide is sourced from PubChem (CID 62680724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).