2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide

C17H36N4O7 — CID 166896010

IUPAC2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide
SMILESCCOCC(COCCOCC(=O)NN)CC(C)(C)OCCOCC(=O)NN
InChIInChI=1S/C17H36N4O7/c1-4-24-10-14(11-25-5-6-26-12-15(22)20-18)9-17(2,3)28-8-7-27-13-16(23)21-19/h14H,4-13,18-19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCCJFGROATKGBRF-UHFFFAOYSA-N
MW408.50 g/mol
LogP-1.15
Rot. Bonds18

About 2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide

2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide (PubChem CID 166896010) has the molecular formula C17H36N4O7 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide.

Molecular Properties

Compound Name2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide
PubChem CID166896010
Molecular FormulaC17H36N4O7
Molecular Weight408.50 g/mol
Exact Mass408.26
IUPAC Name2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide
SMILESCCOCC(COCCOCC(=O)NN)CC(C)(C)OCCOCC(=O)NN
InChIInChI=1S/C17H36N4O7/c1-4-24-10-14(11-25-5-6-26-12-15(22)20-18)9-17(2,3)28-8-7-27-13-16(23)21-19/h14H,4-13,18-19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCCJFGROATKGBRF-UHFFFAOYSA-N
XLogP-1.15
TPSA156.39 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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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Related Compounds

2-ethoxyacetohydrazide;hydrochloride
CID 16641296
2-(2-methoxyethoxy)acetohydrazide
CID 43237114
N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide
CID 21337734
N-methyl-2-[2-(2-methylpentan-2-yloxy)ethoxy]acetamide
CID 166730060
2-(3-methylbutoxy)acetohydrazide
CID 63588728
N-(2-amino-2-methylpropyl)-2-(2-ethoxyethoxy)acetamide
CID 119626722
N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 143266942
2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide
CID 91309093
2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide
CID 175791265
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide
CID 59101699

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide?
The IUPAC name of 2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide (CID 166896010) is 2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide.
What is the SMILES notation for 2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide?
The canonical SMILES for 2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide is CCOCC(COCCOCC(=O)NN)CC(C)(C)OCCOCC(=O)NN.
What is the InChIKey of 2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide?
The InChIKey is CCJFGROATKGBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O7/c1-4-24-10-14(11-25-5-6-26-12-15(22)20-18)9-17(2,3)28-8-7-27-13-16(23)21-19/h14H,4-13,18-19H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide?
2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide has a molecular weight of 408.50 g/mol, XLogP of -1.15, 18 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(ethoxymethyl)-4-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]-4-methylpentoxy]ethoxy]acetohydrazide is sourced from PubChem (CID 166896010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).