2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide

C13H20N4O4 — CID 82941980

IUPAC2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide
SMILESCCCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C13H20N4O4/c1-2-7-21-8-3-6-15-13(18)11-9-10(17(19)20)4-5-12(11)16-14/h4-5,9,16H,2-3,6-8,14H2,1H3,(H,15,18)
InChIKeyLVUFLMXGKDEYTE-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.43
Rot. Bonds9

About 2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide

2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide (PubChem CID 82941980) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide
PubChem CID82941980
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide
SMILESCCCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C13H20N4O4/c1-2-7-21-8-3-6-15-13(18)11-9-10(17(19)20)4-5-12(11)16-14/h4-5,9,16H,2-3,6-8,14H2,1H3,(H,15,18)
InChIKeyLVUFLMXGKDEYTE-UHFFFAOYSA-N
XLogP1.43
TPSA119.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide
CID 62241467
2-amino-N-(3-butoxypropyl)-5-nitrobenzamide
CID 115597224
2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524
N-(3-methoxypropyl)-2-(methylamino)-5-nitrobenzamide
CID 35513765
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
2-(cycloheptylamino)-N-hexyl-5-nitrobenzamide
CID 22467514
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide
CID 115635942
2-(butylcarbamoyl)-5-nitrobenzoic acid
CID 110839262
2-bromo-5-nitro-N-octylbenzamide
CID 115567380
2-chloro-N-heptyl-5-nitrobenzamide
CID 5111149
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide
CID 60668843

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide?
The IUPAC name of 2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide (CID 82941980) is 2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide.
What is the SMILES notation for 2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide?
The canonical SMILES for 2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide is CCCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of 2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide?
The InChIKey is LVUFLMXGKDEYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-2-7-21-8-3-6-15-13(18)11-9-10(17(19)20)4-5-12(11)16-14/h4-5,9,16H,2-3,6-8,14H2,1H3,(H,15,18).
What are the key properties of 2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide?
2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide has a molecular weight of 296.33 g/mol, XLogP of 1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide is sourced from PubChem (CID 82941980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).