5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide

C12H17N5O4 — CID 62243608

IUPAC5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N5O4/c1-2-5-14-11(18)7-15-12(19)9-6-8(16-13)3-4-10(9)17(20)21/h3-4,6,16H,2,5,7,13H2,1H3,(H,14,18)(H,15,19)
InChIKeyQEEVKELJAGNDKP-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.14
Rot. Bonds7

About 5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide

5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 62243608) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID62243608
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Name5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N5O4/c1-2-5-14-11(18)7-15-12(19)9-6-8(16-13)3-4-10(9)17(20)21/h3-4,6,16H,2,5,7,13H2,1H3,(H,14,18)(H,15,19)
InChIKeyQEEVKELJAGNDKP-UHFFFAOYSA-N
XLogP0.14
TPSA139.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.14
H-Bond Donors ≤ 54
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-methylsulfanyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 35353392
5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide
CID 115327339
5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62640963
5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331363
N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide
CID 113478196
N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 55051038
4-bromo-3-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163264
5-methylsulfanyl-2-nitro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55953445
N-(2-butoxyethyl)-5-(methylamino)-2-nitrobenzamide
CID 62177960
5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
CID 65236539

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 62243608) is 5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CNC(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is QEEVKELJAGNDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c1-2-5-14-11(18)7-15-12(19)9-6-8(16-13)3-4-10(9)17(20)21/h3-4,6,16H,2,5,7,13H2,1H3,(H,14,18)(H,15,19).
What are the key properties of 5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 295.30 g/mol, XLogP of 0.14, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 62243608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).