N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide

C13H20N4O3 — CID 114271694

IUPACN-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1cc([N+](=O)[O-])c(NN)cc1C
InChIInChI=1S/C13H20N4O3/c1-4-6-16(5-2)13(18)10-8-12(17(19)20)11(15-14)7-9(10)3/h7-8,15H,4-6,14H2,1-3H3
InChIKeyVWCUERWANCCMJI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.06
Rot. Bonds6

About N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide

N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide (PubChem CID 114271694) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide
PubChem CID114271694
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1cc([N+](=O)[O-])c(NN)cc1C
InChIInChI=1S/C13H20N4O3/c1-4-6-16(5-2)13(18)10-8-12(17(19)20)11(15-14)7-9(10)3/h7-8,15H,4-6,14H2,1-3H3
InChIKeyVWCUERWANCCMJI-UHFFFAOYSA-N
XLogP2.06
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.06
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-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 62236416
N-ethyl-2-hydrazinyl-N-propylbenzamide
CID 62243548
2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide
CID 114089856
4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide
CID 114271701
N-ethyl-5-(ethylamino)-2-nitro-N-propylbenzamide
CID 62169452
2-amino-N-ethyl-5-nitro-N-propylpyridine-3-carboxamide
CID 104585991
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide
CID 79378491
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide
CID 62241366
3-methyl-4-nitro-N,N-dipropylbenzamide
CID 786985
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide
CID 114271700

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide?
The IUPAC name of N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide (CID 114271694) is N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide.
What is the SMILES notation for N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide?
The canonical SMILES for N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide is CCCN(CC)C(=O)c1cc([N+](=O)[O-])c(NN)cc1C.
What is the InChIKey of N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide?
The InChIKey is VWCUERWANCCMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-6-16(5-2)13(18)10-8-12(17(19)20)11(15-14)7-9(10)3/h7-8,15H,4-6,14H2,1-3H3.
What are the key properties of N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide?
N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide has a molecular weight of 280.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide is sourced from PubChem (CID 114271694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).