N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide

C14H23N3O — CID 64581176

IUPACN-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)NCC(C)C(C)C)c1
InChIInChI=1S/C14H23N3O/c1-9(2)11(4)8-16-14(18)12-7-10(3)5-6-13(12)17-15/h5-7,9,11,17H,8,15H2,1-4H3,(H,16,18)
InChIKeyTUPDEOLPBLUNRT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.30
Rot. Bonds5

About N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide

N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide (PubChem CID 64581176) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide
PubChem CID64581176
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)NCC(C)C(C)C)c1
InChIInChI=1S/C14H23N3O/c1-9(2)11(4)8-16-14(18)12-7-10(3)5-6-13(12)17-15/h5-7,9,11,17H,8,15H2,1-4H3,(H,16,18)
InChIKeyTUPDEOLPBLUNRT-UHFFFAOYSA-N
XLogP2.30
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.30
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-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62990650
2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62509922
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide
CID 113491855
N-(2-cyclopentylethyl)-2-hydrazinyl-5-methylbenzamide
CID 62509764
N-[2-(dimethylamino)propyl]-2-(ethylamino)-5-methylbenzamide
CID 62508874
2-hydrazinyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523072
N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide
CID 106340904
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 62510796
2-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide
CID 62848709
N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide
CID 62511517
2-hydrazinyl-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 62510956

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide?
The IUPAC name of N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide (CID 64581176) is N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide is Cc1ccc(NN)c(C(=O)NCC(C)C(C)C)c1.
What is the InChIKey of N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide?
The InChIKey is TUPDEOLPBLUNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)11(4)8-16-14(18)12-7-10(3)5-6-13(12)17-15/h5-7,9,11,17H,8,15H2,1-4H3,(H,16,18).
What are the key properties of N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide?
N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide has a molecular weight of 249.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide is sourced from PubChem (CID 64581176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).