4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide

C17H29N3O — CID 107818129

IUPAC4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide
SMILESCc1cc(NN)ccc1C(=O)NCCCCCCC(C)C
InChIInChI=1S/C17H29N3O/c1-13(2)8-6-4-5-7-11-19-17(21)16-10-9-15(20-18)12-14(16)3/h9-10,12-13,20H,4-8,11,18H2,1-3H3,(H,19,21)
InChIKeyZIFDHVCLEMAZAU-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.62
Rot. Bonds9

About 4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide

4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide (PubChem CID 107818129) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide
PubChem CID107818129
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide
SMILESCc1cc(NN)ccc1C(=O)NCCCCCCC(C)C
InChIInChI=1S/C17H29N3O/c1-13(2)8-6-4-5-7-11-19-17(21)16-10-9-15(20-18)12-14(16)3/h9-10,12-13,20H,4-8,11,18H2,1-3H3,(H,19,21)
InChIKeyZIFDHVCLEMAZAU-UHFFFAOYSA-N
XLogP3.62
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide
CID 115326819
5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide
CID 115327339
2-methyl-4-(5-methylhexylcarbamoylamino)benzoic acid
CID 115326412
4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide
CID 102700668
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
N-[2-(dimethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 106340967
N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 106340923
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
2,5-dibromo-N-(7-methyloctyl)benzamide
CID 114371952
4-(ethylamino)-2-methyl-N-pentylbenzamide
CID 113400130
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-hydrazinyl-2-methylbenzamide
CID 106280283

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide?
The IUPAC name of 4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide (CID 107818129) is 4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide.
What is the SMILES notation for 4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide?
The canonical SMILES for 4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide is Cc1cc(NN)ccc1C(=O)NCCCCCCC(C)C.
What is the InChIKey of 4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide?
The InChIKey is ZIFDHVCLEMAZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)8-6-4-5-7-11-19-17(21)16-10-9-15(20-18)12-14(16)3/h9-10,12-13,20H,4-8,11,18H2,1-3H3,(H,19,21).
What are the key properties of 4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide?
4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide has a molecular weight of 291.44 g/mol, XLogP of 3.62, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide is sourced from PubChem (CID 107818129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).