ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen

C21H49FN2O7 — CID 164556898

IUPACethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen
SMILESCC.CCNCCOCCOCCOCCOCCOCCOCC(F)CNC(C)=O.[H][H].[H][H]
InChIInChI=1S/C19H39FN2O7.C2H6.2H2/c1-3-21-4-5-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-17-19(20)16-22-18(2)23;1-2;;/h19,21H,3-17H2,1-2H3,(H,22,23);1-2H3;2*1H
InChIKeySOOCLSCKYZVTHP-UHFFFAOYSA-N
MW460.63 g/mol
LogP1.69
Rot. Bonds23

About ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen

ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen (PubChem CID 164556898) has the molecular formula C21H49FN2O7 and a molecular weight of 460.63 g/mol. Its IUPAC name is ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen
PubChem CID164556898
Molecular FormulaC21H49FN2O7
Molecular Weight460.63 g/mol
Exact Mass460.35
IUPAC Nameethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen
SMILESCC.CCNCCOCCOCCOCCOCCOCCOCC(F)CNC(C)=O.[H][H].[H][H]
InChIInChI=1S/C19H39FN2O7.C2H6.2H2/c1-3-21-4-5-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-17-19(20)16-22-18(2)23;1-2;;/h19,21H,3-17H2,1-2H3,(H,22,23);1-2H3;2*1H
InChIKeySOOCLSCKYZVTHP-UHFFFAOYSA-N
XLogP1.69
TPSA96.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.63
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 147243604
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
CID 142616700
N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide
CID 153390576
ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide
CID 142616304
N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide
CID 167191221
N-[2-[2-[2-(ethylamino)ethylamino]ethoxy]ethyl]acetamide
CID 155740927
N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
CID 170442191
ethane;N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 153390518
ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane
CID 142616341
N-[2-[2-(ethylamino)ethoxy]ethyl]-2-methylpropanamide;molecular hydrogen
CID 172574109
1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen
CID 142364696
N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide;ethane;molecular hydrogen
CID 142623156

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen?
The IUPAC name of ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen (CID 164556898) is ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen?
The canonical SMILES for ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen is CC.CCNCCOCCOCCOCCOCCOCCOCC(F)CNC(C)=O.[H][H].[H][H].
What is the InChIKey of ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen?
The InChIKey is SOOCLSCKYZVTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39FN2O7.C2H6.2H2/c1-3-21-4-5-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-17-19(20)16-22-18(2)23;1-2;;/h19,21H,3-17H2,1-2H3,(H,22,23);1-2H3;2*1H.
What are the key properties of ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen?
ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen has a molecular weight of 460.63 g/mol, XLogP of 1.69, 23 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen is sourced from PubChem (CID 164556898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).