4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide

C14H20N2O4 — CID 63575469

IUPAC4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide
SMILESCOc1cc(C(C)=O)ccc1OC(C)CCC(=O)NN
InChIInChI=1S/C14H20N2O4/c1-9(4-7-14(18)16-15)20-12-6-5-11(10(2)17)8-13(12)19-3/h5-6,8-9H,4,7,15H2,1-3H3,(H,16,18)
InChIKeyRTACWLGPGJYRNJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.44
Rot. Bonds7

About 4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide

4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide (PubChem CID 63575469) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide
PubChem CID63575469
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide
SMILESCOc1cc(C(C)=O)ccc1OC(C)CCC(=O)NN
InChIInChI=1S/C14H20N2O4/c1-9(4-7-14(18)16-15)20-12-6-5-11(10(2)17)8-13(12)19-3/h5-6,8-9H,4,7,15H2,1-3H3,(H,16,18)
InChIKeyRTACWLGPGJYRNJ-UHFFFAOYSA-N
XLogP1.44
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone
CID 22015651
2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8808315
ethane;methyl 4-(1-hydroxypropan-2-yloxy)-3-methoxybenzoate
CID 145145919
4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide
CID 55214761
3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537568
1-[3-fluoro-4-(4-methoxybutan-2-yloxy)phenyl]ethanone
CID 115687961
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902728
1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone
CID 68617560
1-(3-fluoro-4-pentan-2-yloxyphenyl)ethanone
CID 21105303
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
3-methoxy-4-(1-methoxy-1-oxopropan-2-yl)oxybenzoic acid
CID 2981353
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide (CID 63575469) is 4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide is COc1cc(C(C)=O)ccc1OC(C)CCC(=O)NN.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide?
The InChIKey is RTACWLGPGJYRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(4-7-14(18)16-15)20-12-6-5-11(10(2)17)8-13(12)19-3/h5-6,8-9H,4,7,15H2,1-3H3,(H,16,18).
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide?
4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide has a molecular weight of 280.32 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide is sourced from PubChem (CID 63575469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).