2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide

C15H34N4O6 — CID 155570253

IUPAC2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide
SMILESCNCC(C)(C)OCC(C)(C)OCCNC(=O)CON.NOCC=O
InChIInChI=1S/C13H29N3O4.C2H5NO2/c1-12(2,9-15-5)19-10-13(3,4)18-7-6-16-11(17)8-20-14;3-5-2-1-4/h15H,6-10,14H2,1-5H3,(H,16,17);1H,2-3H2
InChIKeyPFAHCJJLMCPHCJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP-1.12
Rot. Bonds13

About 2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide

2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide (PubChem CID 155570253) has the molecular formula C15H34N4O6 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide.

Molecular Properties

Compound Name2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide
PubChem CID155570253
Molecular FormulaC15H34N4O6
Molecular Weight366.46 g/mol
Exact Mass366.25
IUPAC Name2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide
SMILESCNCC(C)(C)OCC(C)(C)OCCNC(=O)CON.NOCC=O
InChIInChI=1S/C13H29N3O4.C2H5NO2/c1-12(2,9-15-5)19-10-13(3,4)18-7-6-16-11(17)8-20-14;3-5-2-1-4/h15H,6-10,14H2,1-5H3,(H,16,17);1H,2-3H2
InChIKeyPFAHCJJLMCPHCJ-UHFFFAOYSA-N
XLogP-1.12
TPSA147.16 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 123264301
N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 144635038
N-(2-ethoxyethyl)-2-(2-oxoethoxy)acetamide
CID 139515963
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide
CID 172626027
2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 176675274
2-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylpropan-1-amine
CID 104566505
tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 121257831
N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide
CID 123983731
N-[2-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]-5-oxohexanamide
CID 144763173
2-aminooxy-N-[2-(3-sulfanylpropoxy)ethyl]acetamide;octa-2,4,6-triyne
CID 160504996
[2-methyl-2-[2-methyl-2-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl] cyanate
CID 170278273

Frequently Asked Questions

What is the IUPAC name of 2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide?
The IUPAC name of 2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide (CID 155570253) is 2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide.
What is the SMILES notation for 2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide?
The canonical SMILES for 2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide is CNCC(C)(C)OCC(C)(C)OCCNC(=O)CON.NOCC=O.
What is the InChIKey of 2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide?
The InChIKey is PFAHCJJLMCPHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O4.C2H5NO2/c1-12(2,9-15-5)19-10-13(3,4)18-7-6-16-11(17)8-20-14;3-5-2-1-4/h15H,6-10,14H2,1-5H3,(H,16,17);1H,2-3H2.
What are the key properties of 2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide?
2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of -1.12, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyacetaldehyde;2-aminooxy-N-[2-[2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]oxypropan-2-yl]oxyethyl]acetamide is sourced from PubChem (CID 155570253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).