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

C14H22N4O3 — CID 115327339

IUPAC5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide
SMILESCC(C)CCCCNC(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-10(2)5-3-4-8-16-14(19)12-9-11(17-15)6-7-13(12)18(20)21/h6-7,9-10,17H,3-5,8,15H2,1-2H3,(H,16,19)
InChIKeyBFADQFHEZQEQHR-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.44
Rot. Bonds8

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

5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide (PubChem CID 115327339) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide
PubChem CID115327339
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide
SMILESCC(C)CCCCNC(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-10(2)5-3-4-8-16-14(19)12-9-11(17-15)6-7-13(12)18(20)21/h6-7,9-10,17H,3-5,8,15H2,1-2H3,(H,16,19)
InChIKeyBFADQFHEZQEQHR-UHFFFAOYSA-N
XLogP2.44
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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CID 107818129
N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide
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5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide
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5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
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5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62640963
3-chloro-N-(5-methylhexyl)-4-nitrobenzamide
CID 82781662
N-(3,3-dimethylbutan-2-yl)-5-hydrazinyl-2-nitrobenzamide
CID 104829982
5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide
CID 62241474
5-(methylamino)-N-(3-methylsulfonylpropyl)-2-nitrobenzamide
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N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 55051038

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide?
The IUPAC name of 5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide (CID 115327339) is 5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide.
What is the SMILES notation for 5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide?
The canonical SMILES for 5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide is CC(C)CCCCNC(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide?
The InChIKey is BFADQFHEZQEQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(2)5-3-4-8-16-14(19)12-9-11(17-15)6-7-13(12)18(20)21/h6-7,9-10,17H,3-5,8,15H2,1-2H3,(H,16,19).
What are the key properties of 5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide?
5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide has a molecular weight of 294.36 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide is sourced from PubChem (CID 115327339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).