N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide

C14H22N2O — CID 116846569

IUPACN'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide
SMILESCNNC(=O)CCCc1ccc(C)c(C)c1C
InChIInChI=1S/C14H22N2O/c1-10-8-9-13(12(3)11(10)2)6-5-7-14(17)16-15-4/h8-9,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyQHACDRIYRJPZHO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds5

About N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide

N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide (PubChem CID 116846569) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide.

Molecular Properties

Compound NameN'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide
PubChem CID116846569
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide
SMILESCNNC(=O)CCCc1ccc(C)c(C)c1C
InChIInChI=1S/C14H22N2O/c1-10-8-9-13(12(3)11(10)2)6-5-7-14(17)16-15-4/h8-9,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyQHACDRIYRJPZHO-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide
CID 116846533
4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide
CID 115163128
3-chloro-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115162661
4-[2-(2,3,4-trimethylphenyl)ethylamino]butanoic acid
CID 115218755
5-(2-methoxy-5-methylphenyl)-N'-methylpentanehydrazide
CID 116846603
1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one
CID 115235084
N-methyl-4-(2-methylphenyl)butanamide
CID 67667120
N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide
CID 116846512
N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide
CID 116845038
1-(2,3,4-trimethylphenyl)propan-2-one
CID 71371849
N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide
CID 116846510
2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide
CID 115158323

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide?
The IUPAC name of N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide (CID 116846569) is N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide.
What is the SMILES notation for N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide?
The canonical SMILES for N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide is CNNC(=O)CCCc1ccc(C)c(C)c1C.
What is the InChIKey of N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide?
The InChIKey is QHACDRIYRJPZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-8-9-13(12(3)11(10)2)6-5-7-14(17)16-15-4/h8-9,15H,5-7H2,1-4H3,(H,16,17).
What are the key properties of N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide?
N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide has a molecular weight of 234.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide is sourced from PubChem (CID 116846569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).