N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C21H44N2O9 — CID 57079202

IUPACN-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CCOCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C21H44N2O9/c1-21(2,3)32-23(20-24)5-7-26-9-11-28-13-15-30-17-19-31-18-16-29-14-12-27-10-8-25-6-4-22/h20H,4-19,22H2,1-3H3
InChIKeyOQWSNLIOGKLYOL-UHFFFAOYSA-N
MW468.59 g/mol
LogP0.25
Rot. Bonds25

About N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 57079202) has the molecular formula C21H44N2O9 and a molecular weight of 468.59 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID57079202
Molecular FormulaC21H44N2O9
Molecular Weight468.59 g/mol
Exact Mass468.30
IUPAC NameN-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CCOCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C21H44N2O9/c1-21(2,3)32-23(20-24)5-7-26-9-11-28-13-15-30-17-19-31-18-16-29-14-12-27-10-8-25-6-4-22/h20H,4-19,22H2,1-3H3
InChIKeyOQWSNLIOGKLYOL-UHFFFAOYSA-N
XLogP0.25
TPSA120.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 57079202) is N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)CCOCCOCCOCCOCCOCCOCCOCCN.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is OQWSNLIOGKLYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O9/c1-21(2,3)32-23(20-24)5-7-26-9-11-28-13-15-30-17-19-31-18-16-29-14-12-27-10-8-25-6-4-22/h20H,4-19,22H2,1-3H3.
What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 468.59 g/mol, XLogP of 0.25, 25 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 57079202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).