N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide

C14H22N4O3 — CID 79482467

IUPACN-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide
SMILESCCC(C)CN(CC)C(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C14H22N4O3/c1-4-10(3)9-17(5-2)14(19)12-8-11(18(20)21)6-7-13(12)16-15/h6-8,10,16H,4-5,9,15H2,1-3H3
InChIKeyPXLSDZBJDWCPMK-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.39
Rot. Bonds7

About N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide

N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide (PubChem CID 79482467) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide
PubChem CID79482467
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide
SMILESCCC(C)CN(CC)C(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C14H22N4O3/c1-4-10(3)9-17(5-2)14(19)12-8-11(18(20)21)6-7-13(12)16-15/h6-8,10,16H,4-5,9,15H2,1-3H3
InChIKeyPXLSDZBJDWCPMK-UHFFFAOYSA-N
XLogP2.39
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.39
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-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide
CID 79481856
2-chloro-N-ethyl-N-(2-methylbutyl)-4-nitrobenzamide
CID 79480486
2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
CID 62338594
2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
CID 62244026
3-[ethyl-(2-methyl-5-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 62827918
N-(cyclobutylmethyl)-N-ethyl-2-(methylamino)-5-nitrobenzamide
CID 107401291
2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide
CID 62180083
4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide
CID 43296192
2-[[ethyl(2-methylbutyl)amino]methyl]-N-methyl-4-nitroaniline
CID 79481333
2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide
CID 62241467
N,N-di(butan-2-yl)-2-chloro-5-nitrobenzamide
CID 4526092
(2,4-dinitrophenyl)hydrazine;propan-2-one
CID 162068337

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide?
The IUPAC name of N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide (CID 79482467) is N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide.
What is the SMILES notation for N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide?
The canonical SMILES for N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide is CCC(C)CN(CC)C(=O)c1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide?
The InChIKey is PXLSDZBJDWCPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-10(3)9-17(5-2)14(19)12-8-11(18(20)21)6-7-13(12)16-15/h6-8,10,16H,4-5,9,15H2,1-3H3.
What are the key properties of N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide?
N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide has a molecular weight of 294.35 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide is sourced from PubChem (CID 79482467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).