2-(2,5-dimethylphenoxy)butanehydrazide

C12H18N2O2 — CID 54792983

IUPAC2-(2,5-dimethylphenoxy)butanehydrazide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)NN
InChIInChI=1S/C12H18N2O2/c1-4-10(12(15)14-13)16-11-7-8(2)5-6-9(11)3/h5-7,10H,4,13H2,1-3H3,(H,14,15)
InChIKeyNRVGVDJBMOIJPL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.45
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)butanehydrazide

2-(2,5-dimethylphenoxy)butanehydrazide (PubChem CID 54792983) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)butanehydrazide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)butanehydrazide
PubChem CID54792983
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(2,5-dimethylphenoxy)butanehydrazide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)NN
InChIInChI=1S/C12H18N2O2/c1-4-10(12(15)14-13)16-11-7-8(2)5-6-9(11)3/h5-7,10H,4,13H2,1-3H3,(H,14,15)
InChIKeyNRVGVDJBMOIJPL-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(2-methoxy-4-methylphenoxy)butanehydrazide
CID 63576549
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 92646353
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050
(2R)-2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 28635073
(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 92682902
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide
CID 28564545
2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 94020116
2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide
CID 46772808
N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 132760463
N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide
CID 133240165
ethyl 4-[[(2S)-2-(2,5-dimethylphenoxy)butanoyl]amino]-3-methylbenzoate
CID 28569462

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)butanehydrazide?
The IUPAC name of 2-(2,5-dimethylphenoxy)butanehydrazide (CID 54792983) is 2-(2,5-dimethylphenoxy)butanehydrazide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)butanehydrazide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)butanehydrazide is CCC(Oc1cc(C)ccc1C)C(=O)NN.
What is the InChIKey of 2-(2,5-dimethylphenoxy)butanehydrazide?
The InChIKey is NRVGVDJBMOIJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-10(12(15)14-13)16-11-7-8(2)5-6-9(11)3/h5-7,10H,4,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,5-dimethylphenoxy)butanehydrazide?
2-(2,5-dimethylphenoxy)butanehydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)butanehydrazide is sourced from PubChem (CID 54792983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).