ethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen

C22H51NO5 — CID 177357444

IUPACethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen
SMILESCC.CC.CC(=O)CCCCCCCCNCCOCCOCCOCCO.[H][H]
InChIInChI=1S/C18H37NO5.2C2H6.H2/c1-18(21)8-6-4-2-3-5-7-9-19-10-12-22-14-16-24-17-15-23-13-11-20;2*1-2;/h19-20H,2-17H2,1H3;2*1-2H3;1H
InChIKeyHAZDPPVDANSXHJ-UHFFFAOYSA-N
MW409.65 g/mol
LogP4.24
Rot. Bonds20

About ethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen

ethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen (PubChem CID 177357444) has the molecular formula C22H51NO5 and a molecular weight of 409.65 g/mol. Its IUPAC name is ethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen.

Molecular Properties

Compound Nameethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen
PubChem CID177357444
Molecular FormulaC22H51NO5
Molecular Weight409.65 g/mol
Exact Mass409.38
IUPAC Nameethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen
SMILESCC.CC.CC(=O)CCCCCCCCNCCOCCOCCOCCO.[H][H]
InChIInChI=1S/C18H37NO5.2C2H6.H2/c1-18(21)8-6-4-2-3-5-7-9-19-10-12-22-14-16-24-17-15-23-13-11-20;2*1-2;/h19-20H,2-17H2,1H3;2*1-2H3;1H
InChIKeyHAZDPPVDANSXHJ-UHFFFAOYSA-N
XLogP4.24
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.65
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen?
The IUPAC name of ethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen (CID 177357444) is ethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen.
What is the SMILES notation for ethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen?
The canonical SMILES for ethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen is CC.CC.CC(=O)CCCCCCCCNCCOCCOCCOCCO.[H][H].
What is the InChIKey of ethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen?
The InChIKey is HAZDPPVDANSXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO5.2C2H6.H2/c1-18(21)8-6-4-2-3-5-7-9-19-10-12-22-14-16-24-17-15-23-13-11-20;2*1-2;/h19-20H,2-17H2,1H3;2*1-2H3;1H.
What are the key properties of ethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen?
ethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen has a molecular weight of 409.65 g/mol, XLogP of 4.24, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]decan-2-one;molecular hydrogen is sourced from PubChem (CID 177357444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).