N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide

C17H26N2O4 — CID 17050964

IUPACN'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide
SMILESCCOCCC(=O)NNC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C17H26N2O4/c1-5-22-11-10-15(20)18-19-16(21)12-23-14-9-7-6-8-13(14)17(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyUEAIJIRJDFZFQO-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.94
Rot. Bonds7

About N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide

N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide (PubChem CID 17050964) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide
PubChem CID17050964
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide
SMILESCCOCCC(=O)NNC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C17H26N2O4/c1-5-22-11-10-15(20)18-19-16(21)12-23-14-9-7-6-8-13(14)17(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyUEAIJIRJDFZFQO-UHFFFAOYSA-N
XLogP1.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17050893
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 17050908
2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate
CID 78832274
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 17357929
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butylphenoxy)acetamide
CID 119523420
3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide
CID 60551513
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 17050900
N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 17050921
2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate
CID 9170941
2-(2-tert-butylphenoxy)acetamide
CID 17051379
N'-(3-ethoxypropanoyl)-2-methoxybenzohydrazide
CID 17357908

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide?
The IUPAC name of N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide (CID 17050964) is N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide.
What is the SMILES notation for N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide?
The canonical SMILES for N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide is CCOCCC(=O)NNC(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide?
The InChIKey is UEAIJIRJDFZFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-22-11-10-15(20)18-19-16(21)12-23-14-9-7-6-8-13(14)17(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide?
N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide has a molecular weight of 322.41 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide is sourced from PubChem (CID 17050964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).