N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide

C14H29FN2O4 — CID 138728501

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

About N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide

N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide (PubChem CID 138728501) has the molecular formula C14H29FN2O4 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide
PubChem CID138728501
Molecular FormulaC14H29FN2O4
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide
SMILESCCNCC(C)OCCOCCOCC(F)CNC(C)=O
InChIInChI=1S/C14H29FN2O4/c1-4-16-9-12(2)21-8-7-19-5-6-20-11-14(15)10-17-13(3)18/h12,14,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyMMONIFVOPQHNPO-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'}

Analyze N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide?
The IUPAC name of N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide (CID 138728501) is N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide.
What is the SMILES notation for N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide?
The canonical SMILES for N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide is CCNCC(C)OCCOCCOCC(F)CNC(C)=O.
What is the InChIKey of N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide?
The InChIKey is MMONIFVOPQHNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O4/c1-4-16-9-12(2)21-8-7-19-5-6-20-11-14(15)10-17-13(3)18/h12,14,16H,4-11H2,1-3H3,(H,17,18).
What are the key properties of N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide?
N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide 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-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide is sourced from PubChem (CID 138728501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).