2-hydrazinyl-N-(3-methylbutyl)benzamide

C12H19N3O — CID 62238189

IUPAC2-hydrazinyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccccc1NN
InChIInChI=1S/C12H19N3O/c1-9(2)7-8-14-12(16)10-5-3-4-6-11(10)15-13/h3-6,9,15H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyHMEMNGIDMHECRJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.75
Rot. Bonds5

About 2-hydrazinyl-N-(3-methylbutyl)benzamide

2-hydrazinyl-N-(3-methylbutyl)benzamide (PubChem CID 62238189) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-hydrazinyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(3-methylbutyl)benzamide
PubChem CID62238189
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-hydrazinyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccccc1NN
InChIInChI=1S/C12H19N3O/c1-9(2)7-8-14-12(16)10-5-3-4-6-11(10)15-13/h3-6,9,15H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyHMEMNGIDMHECRJ-UHFFFAOYSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.75
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-hydrazinyl-N-propylbenzamide
CID 62238054
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
2-(methylamino)-N-(4-methylpentyl)benzamide
CID 61377674
N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide
CID 134132713
N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717
2-hydrazinyl-N,N-bis(3-methylbutyl)benzamide
CID 107871087
2-ethynyl-N-(3-methylbutyl)benzamide
CID 87312816
N-[2-(dimethylamino)propyl]-2-hydrazinylbenzamide
CID 62248398
2-hydrazinyl-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 62242767
3-hydrazinyl-N-(4-methylpentyl)pyridine-4-carboxamide
CID 105072134
N-(3-methylbutyl)-2-propylsulfonylbenzamide
CID 17224899
N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinylbenzamide
CID 106340919

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 2-hydrazinyl-N-(3-methylbutyl)benzamide (CID 62238189) is 2-hydrazinyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 2-hydrazinyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 2-hydrazinyl-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccccc1NN.
What is the InChIKey of 2-hydrazinyl-N-(3-methylbutyl)benzamide?
The InChIKey is HMEMNGIDMHECRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)7-8-14-12(16)10-5-3-4-6-11(10)15-13/h3-6,9,15H,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of 2-hydrazinyl-N-(3-methylbutyl)benzamide?
2-hydrazinyl-N-(3-methylbutyl)benzamide has a molecular weight of 221.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 62238189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).