N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide

C14H22N2O2 — CID 116820749

IUPACN'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide
SMILESCNNC(=O)CCCOc1c(C)cc(C)cc1C
InChIInChI=1S/C14H22N2O2/c1-10-8-11(2)14(12(3)9-10)18-7-5-6-13(17)16-15-4/h8-9,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyIBVSCTZEUYVDTB-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.02
Rot. Bonds6

About N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide

N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide (PubChem CID 116820749) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide.

Molecular Properties

Compound NameN'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide
PubChem CID116820749
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide
SMILESCNNC(=O)CCCOc1c(C)cc(C)cc1C
InChIInChI=1S/C14H22N2O2/c1-10-8-11(2)14(12(3)9-10)18-7-5-6-13(17)16-15-4/h8-9,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyIBVSCTZEUYVDTB-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-4-(4-methylphenoxy)butanehydrazide
CID 116820718
methyl 4-(4-formyl-2,6-dimethylphenoxy)butanoate
CID 43378050
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
4-(4-bromo-2-formyl-6-methylphenoxy)-N-methylbutanamide
CID 112620752
1-thiophen-2-yl-4-(2,4,6-trimethylphenoxy)butan-1-one
CID 63567770
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
dimethyl (2S,3R)-2,3-bis[2-(2,4,6-trimethylphenoxy)ethyl]butanedioate
CID 59749621
4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide
CID 55037346
5-(2,4,6-trimethylphenoxy)pentanethioamide
CID 54966598
1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974537
4-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-methylbutanamide
CID 112619951
3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 43092392

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide?
The IUPAC name of N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide (CID 116820749) is N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide.
What is the SMILES notation for N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide?
The canonical SMILES for N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide is CNNC(=O)CCCOc1c(C)cc(C)cc1C.
What is the InChIKey of N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide?
The InChIKey is IBVSCTZEUYVDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-8-11(2)14(12(3)9-10)18-7-5-6-13(17)16-15-4/h8-9,15H,5-7H2,1-4H3,(H,16,17).
What are the key properties of N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide?
N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide has a molecular weight of 250.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide is sourced from PubChem (CID 116820749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).