N-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide

C14H29FN2O4 — CID 155455428

IUPACN-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCOC(C)CNC
InChIInChI=1S/C14H29FN2O4/c1-4-14(18)17-10-13(15)11-20-6-5-19-7-8-21-12(2)9-16-3/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyBTSJRFUINUSNGD-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.51
Rot. Bonds14

About N-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide

N-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide (PubChem CID 155455428) has the molecular formula C14H29FN2O4 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide
PubChem CID155455428
Molecular FormulaC14H29FN2O4
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCOC(C)CNC
InChIInChI=1S/C14H29FN2O4/c1-4-14(18)17-10-13(15)11-20-6-5-19-7-8-21-12(2)9-16-3/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyBTSJRFUINUSNGD-UHFFFAOYSA-N
XLogP0.51
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide (CID 155455428) is N-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide is CCC(=O)NCC(F)COCCOCCOC(C)CNC.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide?
The InChIKey is BTSJRFUINUSNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O4/c1-4-14(18)17-10-13(15)11-20-6-5-19-7-8-21-12(2)9-16-3/h12-13,16H,4-11H2,1-3H3,(H,17,18).
What are the key properties of N-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide?
N-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide has a molecular weight of 308.39 g/mol, XLogP of 0.51, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[1-(methylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide is sourced from PubChem (CID 155455428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).