N'-methyl-4-(4-methylphenoxy)butanehydrazide

C12H18N2O2 — CID 116820718

IUPACN'-methyl-4-(4-methylphenoxy)butanehydrazide
SMILESCNNC(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C12H18N2O2/c1-10-5-7-11(8-6-10)16-9-3-4-12(15)14-13-2/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyVGANJMIQZXBJCW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.40
Rot. Bonds6

About N'-methyl-4-(4-methylphenoxy)butanehydrazide

N'-methyl-4-(4-methylphenoxy)butanehydrazide (PubChem CID 116820718) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-methyl-4-(4-methylphenoxy)butanehydrazide.

Molecular Properties

Compound NameN'-methyl-4-(4-methylphenoxy)butanehydrazide
PubChem CID116820718
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN'-methyl-4-(4-methylphenoxy)butanehydrazide
SMILESCNNC(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C12H18N2O2/c1-10-5-7-11(8-6-10)16-9-3-4-12(15)14-13-2/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyVGANJMIQZXBJCW-UHFFFAOYSA-N
XLogP1.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.40
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-5-(4-methylphenoxy)pentanamide
CID 134582282
N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide
CID 79676685
N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
CID 2091478
N-cyano-4-(4-methylphenoxy)butanamide
CID 79195319
N'-[4-(4-methylphenoxy)butanoyl]pyridine-4-carbohydrazide
CID 24979119
N-iodo-5-(4-methylphenoxy)pentanamide
CID 146332162
N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide
CID 116820749
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 18268166

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(4-methylphenoxy)butanehydrazide?
The IUPAC name of N'-methyl-4-(4-methylphenoxy)butanehydrazide (CID 116820718) is N'-methyl-4-(4-methylphenoxy)butanehydrazide.
What is the SMILES notation for N'-methyl-4-(4-methylphenoxy)butanehydrazide?
The canonical SMILES for N'-methyl-4-(4-methylphenoxy)butanehydrazide is CNNC(=O)CCCOc1ccc(C)cc1.
What is the InChIKey of N'-methyl-4-(4-methylphenoxy)butanehydrazide?
The InChIKey is VGANJMIQZXBJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10-5-7-11(8-6-10)16-9-3-4-12(15)14-13-2/h5-8,13H,3-4,9H2,1-2H3,(H,14,15).
What are the key properties of N'-methyl-4-(4-methylphenoxy)butanehydrazide?
N'-methyl-4-(4-methylphenoxy)butanehydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(4-methylphenoxy)butanehydrazide is sourced from PubChem (CID 116820718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).