O-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine

C23H50N2O4 — CID 166839499

IUPACO-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine
SMILESCCOC(C)(C)CCN(CCC(C)(C)OCC)CCC(C)(C)OCC(C)(C)ON
InChIInChI=1S/C23H50N2O4/c1-11-26-20(3,4)13-16-25(17-14-21(5,6)27-12-2)18-15-22(7,8)28-19-23(9,10)29-24/h11-19,24H2,1-10H3
InChIKeyCJGIBNBYGRJEFQ-UHFFFAOYSA-N
MW418.66 g/mol
LogP4.55
Rot. Bonds17

About O-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine

O-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine (PubChem CID 166839499) has the molecular formula C23H50N2O4 and a molecular weight of 418.66 g/mol. Its IUPAC name is O-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine
PubChem CID166839499
Molecular FormulaC23H50N2O4
Molecular Weight418.66 g/mol
Exact Mass418.38
IUPAC NameO-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine
SMILESCCOC(C)(C)CCN(CCC(C)(C)OCC)CCC(C)(C)OCC(C)(C)ON
InChIInChI=1S/C23H50N2O4/c1-11-26-20(3,4)13-16-25(17-14-21(5,6)27-12-2)18-15-22(7,8)28-19-23(9,10)29-24/h11-19,24H2,1-10H3
InChIKeyCJGIBNBYGRJEFQ-UHFFFAOYSA-N
XLogP4.55
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.66
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine?
The IUPAC name of O-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine (CID 166839499) is O-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine.
What is the SMILES notation for O-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine?
The canonical SMILES for O-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine is CCOC(C)(C)CCN(CCC(C)(C)OCC)CCC(C)(C)OCC(C)(C)ON.
What is the InChIKey of O-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine?
The InChIKey is CJGIBNBYGRJEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N2O4/c1-11-26-20(3,4)13-16-25(17-14-21(5,6)27-12-2)18-15-22(7,8)28-19-23(9,10)29-24/h11-19,24H2,1-10H3.
What are the key properties of O-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine?
O-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine has a molecular weight of 418.66 g/mol, XLogP of 4.55, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine is sourced from PubChem (CID 166839499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).