4-(2,4,5-trimethylphenyl)butanehydrazide

C13H20N2O — CID 116843610

IUPAC4-(2,4,5-trimethylphenyl)butanehydrazide
SMILESCc1cc(C)c(CCCC(=O)NN)cc1C
InChIInChI=1S/C13H20N2O/c1-9-7-11(3)12(8-10(9)2)5-4-6-13(16)15-14/h7-8H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyRWXGBQGUJMPKIT-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.92
Rot. Bonds4

About 4-(2,4,5-trimethylphenyl)butanehydrazide

4-(2,4,5-trimethylphenyl)butanehydrazide (PubChem CID 116843610) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(2,4,5-trimethylphenyl)butanehydrazide.

Molecular Properties

Compound Name4-(2,4,5-trimethylphenyl)butanehydrazide
PubChem CID116843610
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(2,4,5-trimethylphenyl)butanehydrazide
SMILESCc1cc(C)c(CCCC(=O)NN)cc1C
InChIInChI=1S/C13H20N2O/c1-9-7-11(3)12(8-10(9)2)5-4-6-13(16)15-14/h7-8H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyRWXGBQGUJMPKIT-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4,5-trimethylphenyl)propanehydrazide
CID 116843486
2-(2,4,5-trimethylphenyl)acetohydrazide
CID 100523227
4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide
CID 116843609
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
3-amino-1-methyl-1-[2-(2,4,5-trimethylphenyl)ethyl]urea
CID 115193053
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
2-(4-bromo-2-methylphenyl)acetohydrazide
CID 166828738
2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide
CID 58181343
ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82350381
4-(6-methylnaphthalen-2-yl)butanehydrazide
CID 116843668
methyl 4-(2,4,5-trimethylphenyl)butanimidate
CID 95443466
N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide
CID 115271746

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,5-trimethylphenyl)butanehydrazide?
The IUPAC name of 4-(2,4,5-trimethylphenyl)butanehydrazide (CID 116843610) is 4-(2,4,5-trimethylphenyl)butanehydrazide.
What is the SMILES notation for 4-(2,4,5-trimethylphenyl)butanehydrazide?
The canonical SMILES for 4-(2,4,5-trimethylphenyl)butanehydrazide is Cc1cc(C)c(CCCC(=O)NN)cc1C.
What is the InChIKey of 4-(2,4,5-trimethylphenyl)butanehydrazide?
The InChIKey is RWXGBQGUJMPKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-7-11(3)12(8-10(9)2)5-4-6-13(16)15-14/h7-8H,4-6,14H2,1-3H3,(H,15,16).
What are the key properties of 4-(2,4,5-trimethylphenyl)butanehydrazide?
4-(2,4,5-trimethylphenyl)butanehydrazide has a molecular weight of 220.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,5-trimethylphenyl)butanehydrazide is sourced from PubChem (CID 116843610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).