ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide

C16H37FN2O3 — CID 142623147

IUPACethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide
SMILESCC.CC.CNCCOCCOC(C)(C)C(F)CNC(C)=O
InChIInChI=1S/C12H25FN2O3.2C2H6/c1-10(16)15-9-11(13)12(2,3)18-8-7-17-6-5-14-4;2*1-2/h11,14H,5-9H2,1-4H3,(H,15,16);2*1-2H3
InChIKeyNCSMOQANGSBZCT-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.54
Rot. Bonds10

About ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide

ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide (PubChem CID 142623147) has the molecular formula C16H37FN2O3 and a molecular weight of 324.48 g/mol. Its IUPAC name is ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide.

Molecular Properties

Compound Nameethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide
PubChem CID142623147
Molecular FormulaC16H37FN2O3
Molecular Weight324.48 g/mol
Exact Mass324.28
IUPAC Nameethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide
SMILESCC.CC.CNCCOCCOC(C)(C)C(F)CNC(C)=O
InChIInChI=1S/C12H25FN2O3.2C2H6/c1-10(16)15-9-11(13)12(2,3)18-8-7-17-6-5-14-4;2*1-2/h11,14H,5-9H2,1-4H3,(H,15,16);2*1-2H3
InChIKeyNCSMOQANGSBZCT-UHFFFAOYSA-N
XLogP2.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide
CID 155402014
N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide
CID 170218773
2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide
CID 170007769
N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide;ethane;molecular hydrogen
CID 142623156
N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide
CID 166461529
2-(4-acetamido-3-fluoro-2-methylbutan-2-yl)oxy-N-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethyl]acetamide
CID 170061578
N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 167191784
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
CID 142616700
S-methyl N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]carbamothioate
CID 166118245
N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide
CID 155750887
benzyl N-[2-fluoro-3-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]butyl]carbamate
CID 138695393
ethane;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 155740359

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide?
The IUPAC name of ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide (CID 142623147) is ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide.
What is the SMILES notation for ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide?
The canonical SMILES for ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide is CC.CC.CNCCOCCOC(C)(C)C(F)CNC(C)=O.
What is the InChIKey of ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide?
The InChIKey is NCSMOQANGSBZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O3.2C2H6/c1-10(16)15-9-11(13)12(2,3)18-8-7-17-6-5-14-4;2*1-2/h11,14H,5-9H2,1-4H3,(H,15,16);2*1-2H3.
What are the key properties of ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide?
ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide has a molecular weight of 324.48 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide is sourced from PubChem (CID 142623147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).