2-(2-methoxy-4-methylphenoxy)butanehydrazide

C12H18N2O3 — CID 63576549

IUPAC2-(2-methoxy-4-methylphenoxy)butanehydrazide
SMILESCCC(Oc1ccc(C)cc1OC)C(=O)NN
InChIInChI=1S/C12H18N2O3/c1-4-9(12(15)14-13)17-10-6-5-8(2)7-11(10)16-3/h5-7,9H,4,13H2,1-3H3,(H,14,15)
InChIKeyZDPGRVUWOTXDMX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.15
Rot. Bonds5

About 2-(2-methoxy-4-methylphenoxy)butanehydrazide

2-(2-methoxy-4-methylphenoxy)butanehydrazide (PubChem CID 63576549) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)butanehydrazide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)butanehydrazide
PubChem CID63576549
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(2-methoxy-4-methylphenoxy)butanehydrazide
SMILESCCC(Oc1ccc(C)cc1OC)C(=O)NN
InChIInChI=1S/C12H18N2O3/c1-4-9(12(15)14-13)17-10-6-5-8(2)7-11(10)16-3/h5-7,9H,4,13H2,1-3H3,(H,14,15)
InChIKeyZDPGRVUWOTXDMX-UHFFFAOYSA-N
XLogP1.15
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
2-(2-methoxy-4-prop-1-enylphenoxy)butanehydrazide
CID 76999474
(2R)-2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 28635073
3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid
CID 64694661
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide
CID 43916329
2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132651179
(2R)-N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 28565428
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide
CID 107744970
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92673580
2-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122
2-(2-bromo-4-chlorophenoxy)butanehydrazide
CID 54792634
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)butanehydrazide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)butanehydrazide (CID 63576549) is 2-(2-methoxy-4-methylphenoxy)butanehydrazide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)butanehydrazide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)butanehydrazide is CCC(Oc1ccc(C)cc1OC)C(=O)NN.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)butanehydrazide?
The InChIKey is ZDPGRVUWOTXDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-9(12(15)14-13)17-10-6-5-8(2)7-11(10)16-3/h5-7,9H,4,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)butanehydrazide?
2-(2-methoxy-4-methylphenoxy)butanehydrazide has a molecular weight of 238.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)butanehydrazide is sourced from PubChem (CID 63576549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).