N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide

C11H16N4O4 — CID 62236416

IUPACN-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
SMILESCCN(CCO)C(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O4/c1-2-14(5-6-16)11(17)8-3-4-9(13-12)10(7-8)15(18)19/h3-4,7,13,16H,2,5-6,12H2,1H3
InChIKeyHKNJMJDOBWATLF-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.33
Rot. Bonds6

About N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide

N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide (PubChem CID 62236416) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
PubChem CID62236416
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC NameN-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
SMILESCCN(CCO)C(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O4/c1-2-14(5-6-16)11(17)8-3-4-9(13-12)10(7-8)15(18)19/h3-4,7,13,16H,2,5-6,12H2,1H3
InChIKeyHKNJMJDOBWATLF-UHFFFAOYSA-N
XLogP0.33
TPSA121.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.33
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

4-(cyclopropylamino)-N-ethyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 78855043
4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide
CID 62241366
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide
CID 79378491
N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide
CID 62249235
N,N-bis(2-hydroxyethyl)-4-methylsulfanyl-3-nitrobenzamide
CID 60655312
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
ethyl 3-[4-(diethylcarbamoyl)-2-nitroanilino]propanoate
CID 22181355
4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 78855712
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide
CID 79845633
4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
CID 115987377
N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide
CID 114271694

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide?
The IUPAC name of N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide (CID 62236416) is N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide.
What is the SMILES notation for N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide?
The canonical SMILES for N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide is CCN(CCO)C(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide?
The InChIKey is HKNJMJDOBWATLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-2-14(5-6-16)11(17)8-3-4-9(13-12)10(7-8)15(18)19/h3-4,7,13,16H,2,5-6,12H2,1H3.
What are the key properties of N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide?
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide has a molecular weight of 268.27 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide is sourced from PubChem (CID 62236416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).