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

C10H21FN2O2 — CID 167243534

IUPACN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]acetamide
SMILESCC(=O)NCC(F)COCCNC(C)C
InChIInChI=1S/C10H21FN2O2/c1-8(2)12-4-5-15-7-10(11)6-13-9(3)14/h8,10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyKKVWRZZMXJUWTO-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.48
Rot. Bonds8

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

N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]acetamide (PubChem CID 167243534) has the molecular formula C10H21FN2O2 and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]acetamide
PubChem CID167243534
Molecular FormulaC10H21FN2O2
Molecular Weight220.29 g/mol
Exact Mass220.16
IUPAC NameN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]acetamide
SMILESCC(=O)NCC(F)COCCNC(C)C
InChIInChI=1S/C10H21FN2O2/c1-8(2)12-4-5-15-7-10(11)6-13-9(3)14/h8,10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyKKVWRZZMXJUWTO-UHFFFAOYSA-N
XLogP0.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(propan-2-ylamino)ethoxy]propyl]acetamide?
The IUPAC name of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]acetamide (CID 167243534) is N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]acetamide is CC(=O)NCC(F)COCCNC(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]acetamide?
The InChIKey is KKVWRZZMXJUWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2/c1-8(2)12-4-5-15-7-10(11)6-13-9(3)14/h8,10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]acetamide?
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]acetamide has a molecular weight of 220.29 g/mol, XLogP of 0.48, 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-[2-(propan-2-ylamino)ethoxy]propyl]acetamide is sourced from PubChem (CID 167243534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).