N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide

C12H18N4O4 — CID 113478196

IUPACN-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide
SMILESCCOC(C)CNC(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O4/c1-3-20-8(2)7-14-12(17)10-6-9(15-13)4-5-11(10)16(18)19/h4-6,8,15H,3,7,13H2,1-2H3,(H,14,17)
InChIKeyPSRWSPKKMIMMPT-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.04
Rot. Bonds7

About N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide

N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide (PubChem CID 113478196) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide
PubChem CID113478196
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC NameN-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide
SMILESCCOC(C)CNC(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O4/c1-3-20-8(2)7-14-12(17)10-6-9(15-13)4-5-11(10)16(18)19/h4-6,8,15H,3,7,13H2,1-2H3,(H,14,17)
InChIKeyPSRWSPKKMIMMPT-UHFFFAOYSA-N
XLogP1.04
TPSA119.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.04
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

5-hydrazinyl-2-nitro-N-pentylbenzamide
CID 55052453
5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide
CID 115327339
2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide
CID 113251137
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide
CID 55042834
5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 62243608
N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 55051038
5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331363
N-(3,3-dimethylbutan-2-yl)-5-hydrazinyl-2-nitrobenzamide
CID 104829982
5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide
CID 62249335
5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide
CID 62241474
2-amino-N-(2-ethoxypropyl)-5-hydroxybenzamide
CID 107076037

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide?
The IUPAC name of N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide (CID 113478196) is N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide.
What is the SMILES notation for N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide?
The canonical SMILES for N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide is CCOC(C)CNC(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide?
The InChIKey is PSRWSPKKMIMMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-3-20-8(2)7-14-12(17)10-6-9(15-13)4-5-11(10)16(18)19/h4-6,8,15H,3,7,13H2,1-2H3,(H,14,17).
What are the key properties of N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide?
N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide has a molecular weight of 282.30 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide is sourced from PubChem (CID 113478196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).