N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide

C12H25FN2O2 — CID 142623124

IUPACN-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide
SMILESCC(=O)NCC(F)C(C)(C)OCCNC(C)C
InChIInChI=1S/C12H25FN2O2/c1-9(2)14-6-7-17-12(4,5)11(13)8-15-10(3)16/h9,11,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyVWEIWDRQHWVDIG-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.25
Rot. Bonds8

About N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide

N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide (PubChem CID 142623124) has the molecular formula C12H25FN2O2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide
PubChem CID142623124
Molecular FormulaC12H25FN2O2
Molecular Weight248.34 g/mol
Exact Mass248.19
IUPAC NameN-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide
SMILESCC(=O)NCC(F)C(C)(C)OCCNC(C)C
InChIInChI=1S/C12H25FN2O2/c1-9(2)14-6-7-17-12(4,5)11(13)8-15-10(3)16/h9,11,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyVWEIWDRQHWVDIG-UHFFFAOYSA-N
XLogP1.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.25
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-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]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-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide?
The IUPAC name of N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide (CID 142623124) is N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide is CC(=O)NCC(F)C(C)(C)OCCNC(C)C.
What is the InChIKey of N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide?
The InChIKey is VWEIWDRQHWVDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O2/c1-9(2)14-6-7-17-12(4,5)11(13)8-15-10(3)16/h9,11,14H,6-8H2,1-5H3,(H,15,16).
What are the key properties of N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide?
N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide has a molecular weight of 248.34 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide is sourced from PubChem (CID 142623124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).