N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide

C11H23FN2O2 — CID 155439391

IUPACN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCNC(C)C
InChIInChI=1S/C11H23FN2O2/c1-4-11(15)14-7-10(12)8-16-6-5-13-9(2)3/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyBXBOOXQKOITCON-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.87
Rot. Bonds9

About N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide

N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide (PubChem CID 155439391) has the molecular formula C11H23FN2O2 and a molecular weight of 234.31 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide
PubChem CID155439391
Molecular FormulaC11H23FN2O2
Molecular Weight234.31 g/mol
Exact Mass234.17
IUPAC NameN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCNC(C)C
InChIInChI=1S/C11H23FN2O2/c1-4-11(15)14-7-10(12)8-16-6-5-13-9(2)3/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyBXBOOXQKOITCON-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide 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-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide (CID 155439391) is N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide is CCC(=O)NCC(F)COCCNC(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide?
The InChIKey is BXBOOXQKOITCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O2/c1-4-11(15)14-7-10(12)8-16-6-5-13-9(2)3/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide?
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide has a molecular weight of 234.31 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide is sourced from PubChem (CID 155439391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).