ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide

C15H35FN2O4 — CID 155739614

IUPACethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide
SMILESCC.CC.CNCCOCCOCCOCC(F)CNC=O
InChIInChI=1S/C11H23FN2O4.2C2H6/c1-13-2-3-16-4-5-17-6-7-18-9-11(12)8-14-10-15;2*1-2/h10-11,13H,2-9H2,1H3,(H,14,15);2*1-2H3
InChIKeyXUHUWRDNOKNJTF-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.39
Rot. Bonds14

About ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide

ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide (PubChem CID 155739614) has the molecular formula C15H35FN2O4 and a molecular weight of 326.45 g/mol. Its IUPAC name is ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide.

Molecular Properties

Compound Nameethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide
PubChem CID155739614
Molecular FormulaC15H35FN2O4
Molecular Weight326.45 g/mol
Exact Mass326.26
IUPAC Nameethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide
SMILESCC.CC.CNCCOCCOCCOCC(F)CNC=O
InChIInChI=1S/C11H23FN2O4.2C2H6/c1-13-2-3-16-4-5-17-6-7-18-9-11(12)8-14-10-15;2*1-2/h10-11,13H,2-9H2,1H3,(H,14,15);2*1-2H3
InChIKeyXUHUWRDNOKNJTF-UHFFFAOYSA-N
XLogP1.39
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide
CID 155582507
N-[2-fluoro-3-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]propyl]formamide
CID 164906947
N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide
CID 155751945
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
ethane;N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 153390518
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
CID 142616700
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide
CID 153390417
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435331
N-[3-[2-(methylamino)ethoxy]propyl]formamide
CID 171561109
2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435
N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 157048797
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide?
The IUPAC name of ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide (CID 155739614) is ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide.
What is the SMILES notation for ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide?
The canonical SMILES for ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide is CC.CC.CNCCOCCOCCOCC(F)CNC=O.
What is the InChIKey of ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide?
The InChIKey is XUHUWRDNOKNJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O4.2C2H6/c1-13-2-3-16-4-5-17-6-7-18-9-11(12)8-14-10-15;2*1-2/h10-11,13H,2-9H2,1H3,(H,14,15);2*1-2H3.
What are the key properties of ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide?
ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide has a molecular weight of 326.45 g/mol, XLogP of 1.39, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide is sourced from PubChem (CID 155739614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).