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

C14H30FN3O3 — CID 166733715

IUPACN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
SMILESCC(=O)NCC(F)COCCNCCOCCNC(C)C
InChIInChI=1S/C14H30FN3O3/c1-12(2)17-6-9-20-7-4-16-5-8-21-11-14(15)10-18-13(3)19/h12,14,16-17H,4-11H2,1-3H3,(H,18,19)
InChIKeyLJUSNEJVAINNHS-UHFFFAOYSA-N
MW307.41 g/mol
LogP0.08
Rot. Bonds14

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

N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide (PubChem CID 166733715) has the molecular formula C14H30FN3O3 and a molecular weight of 307.41 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
PubChem CID166733715
Molecular FormulaC14H30FN3O3
Molecular Weight307.41 g/mol
Exact Mass307.23
IUPAC NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
SMILESCC(=O)NCC(F)COCCNCCOCCNC(C)C
InChIInChI=1S/C14H30FN3O3/c1-12(2)17-6-9-20-7-4-16-5-8-21-11-14(15)10-18-13(3)19/h12,14,16-17H,4-11H2,1-3H3,(H,18,19)
InChIKeyLJUSNEJVAINNHS-UHFFFAOYSA-N
XLogP0.08
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-acetamidoethoxy)propyl-trimethyl-azanium Chloride
CID 178377
N-(1-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide
CID 57737704
2,2,2-trifluoro-N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]acetamide
CID 58007240
N-[1-[2-[(2-fluoroacetyl)amino]propoxy]propan-2-yl]carbamoyl fluoride
CID 131979484
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 135199615
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide
CID 138467265
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138726925
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727026
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide
CID 138727067
N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 138727241
N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide
CID 138727265
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727899

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide (CID 166733715) is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide is CC(=O)NCC(F)COCCNCCOCCNC(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide?
The InChIKey is LJUSNEJVAINNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30FN3O3/c1-12(2)17-6-9-20-7-4-16-5-8-21-11-14(15)10-18-13(3)19/h12,14,16-17H,4-11H2,1-3H3,(H,18,19).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide?
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide has a molecular weight of 307.41 g/mol, XLogP of 0.08, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide is sourced from PubChem (CID 166733715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).