N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide

C15H31FN2O3 — CID 153390526

IUPACN-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide
SMILESCCNCCCOCCCOC(C)(C)C(F)CNC(C)=O
InChIInChI=1S/C15H31FN2O3/c1-5-17-8-6-9-20-10-7-11-21-15(3,4)14(16)12-18-13(2)19/h14,17H,5-12H2,1-4H3,(H,18,19)
InChIKeyWKEAPVQCGDVECU-UHFFFAOYSA-N
MW306.42 g/mol
LogP1.66
Rot. Bonds13

About N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide

N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide (PubChem CID 153390526) has the molecular formula C15H31FN2O3 and a molecular weight of 306.42 g/mol. Its IUPAC name is N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide
PubChem CID153390526
Molecular FormulaC15H31FN2O3
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC NameN-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide
SMILESCCNCCCOCCCOC(C)(C)C(F)CNC(C)=O
InChIInChI=1S/C15H31FN2O3/c1-5-17-8-6-9-20-10-7-11-21-15(3,4)14(16)12-18-13(2)19/h14,17H,5-12H2,1-4H3,(H,18,19)
InChIKeyWKEAPVQCGDVECU-UHFFFAOYSA-N
XLogP1.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 51.66
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

CID 163658574
CID 163658574
CID 58303685
CID 58303685
CID 138727262
CID 138727262
CID 138727597
CID 138727597
CID 138727902
CID 138727902
CID 138728409
CID 138728409
CID 138728411
CID 138728411
CID 142615982
CID 142615982
CID 142616047
CID 142616047
CID 142616512
CID 142616512
CID 142623102
CID 142623102
CID 142623124
CID 142623124

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide?
The IUPAC name of N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide (CID 153390526) is N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide.
What is the SMILES notation for N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide?
The canonical SMILES for N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide is CCNCCCOCCCOC(C)(C)C(F)CNC(C)=O.
What is the InChIKey of N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide?
The InChIKey is WKEAPVQCGDVECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2O3/c1-5-17-8-6-9-20-10-7-11-21-15(3,4)14(16)12-18-13(2)19/h14,17H,5-12H2,1-4H3,(H,18,19).
What are the key properties of N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide?
N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide has a molecular weight of 306.42 g/mol, XLogP of 1.66, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide is sourced from PubChem (CID 153390526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).