2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide

C16H27N3O — CID 106025859

IUPAC2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1ccc(C)cc1NN
InChIInChI=1S/C16H27N3O/c1-4-6-8-13(7-5-2)18-16(20)14-10-9-12(3)11-15(14)19-17/h9-11,13,19H,4-8,17H2,1-3H3,(H,18,20)
InChIKeyIVSAHIMTYLCNCJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.37
Rot. Bonds8

About 2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide

2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide (PubChem CID 106025859) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide.

Molecular Properties

Compound Name2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide
PubChem CID106025859
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1ccc(C)cc1NN
InChIInChI=1S/C16H27N3O/c1-4-6-8-13(7-5-2)18-16(20)14-10-9-12(3)11-15(14)19-17/h9-11,13,19H,4-8,17H2,1-3H3,(H,18,20)
InChIKeyIVSAHIMTYLCNCJ-UHFFFAOYSA-N
XLogP3.37
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methyl-N-octan-4-ylbenzamide
CID 106027828
2-amino-5-methyl-N-octan-4-ylbenzamide
CID 106021787
5-methyl-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027859
4-hydrazinyl-N-octan-4-ylpyridine-3-carboxamide
CID 114138357
2-amino-4-bromo-N-octan-4-ylbenzamide
CID 102978718
N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
CID 81112560
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
CID 106021805
5-amino-2-bromo-N-octan-4-ylbenzamide
CID 106021624
N-octan-4-yl-2-(propan-2-ylamino)benzamide
CID 106027367
4-amino-2-methoxy-N-octan-4-ylbenzamide
CID 106021761
2-chloro-N-octan-4-yl-5-sulfanylbenzamide
CID 106023995
5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide
CID 62235669

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide?
The IUPAC name of 2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide (CID 106025859) is 2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide.
What is the SMILES notation for 2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide?
The canonical SMILES for 2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide is CCCCC(CCC)NC(=O)c1ccc(C)cc1NN.
What is the InChIKey of 2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide?
The InChIKey is IVSAHIMTYLCNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-6-8-13(7-5-2)18-16(20)14-10-9-12(3)11-15(14)19-17/h9-11,13,19H,4-8,17H2,1-3H3,(H,18,20).
What are the key properties of 2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide?
2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide has a molecular weight of 277.41 g/mol, XLogP of 3.37, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide is sourced from PubChem (CID 106025859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).