2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide

C15H24N2O3 — CID 105351577

IUPAC2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide
SMILESCC(C)(C)OCCOCc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-9-8-19-11-13-6-4-12(5-7-13)10-14(18)17-16/h4-7H,8-11,16H2,1-3H3,(H,17,18)
InChIKeyMDCRAYFDGVIIRA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.55
Rot. Bonds7

About 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide

2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide (PubChem CID 105351577) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide
PubChem CID105351577
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide
SMILESCC(C)(C)OCCOCc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-9-8-19-11-13-6-4-12(5-7-13)10-14(18)17-16/h4-7H,8-11,16H2,1-3H3,(H,17,18)
InChIKeyMDCRAYFDGVIIRA-UHFFFAOYSA-N
XLogP1.55
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide (CID 105351577) is 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide is CC(C)(C)OCCOCc1ccc(CC(=O)NN)cc1.
What is the InChIKey of 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide?
The InChIKey is MDCRAYFDGVIIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)20-9-8-19-11-13-6-4-12(5-7-13)10-14(18)17-16/h4-7H,8-11,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide?
2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide has a molecular weight of 280.37 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).