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

C11H23FN2O3 — CID 155582507

IUPACN-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide
SMILESCC(C)NCCOCCOCC(F)CNC=O
InChIInChI=1S/C11H23FN2O3/c1-10(2)14-3-4-16-5-6-17-8-11(12)7-13-9-15/h9-11,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyNCLZRRPMOLPAKO-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.10
Rot. Bonds12

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

N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide (PubChem CID 155582507) has the molecular formula C11H23FN2O3 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide
PubChem CID155582507
Molecular FormulaC11H23FN2O3
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide
SMILESCC(C)NCCOCCOCC(F)CNC=O
InChIInChI=1S/C11H23FN2O3/c1-10(2)14-3-4-16-5-6-17-8-11(12)7-13-9-15/h9-11,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyNCLZRRPMOLPAKO-UHFFFAOYSA-N
XLogP0.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide
CID 153390417
ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide
CID 155739614
N-[2-fluoro-3-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]propyl]formamide
CID 164906947
N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane
CID 155707201
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-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide
CID 155751945
N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide
CID 142623198
ethane;2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetaldehyde
CID 171646622
N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 157048797
ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide
CID 142616304
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide
CID 155439428
N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane
CID 157048796

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide (CID 155582507) is N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide is CC(C)NCCOCCOCC(F)CNC=O.
What is the InChIKey of N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide?
The InChIKey is NCLZRRPMOLPAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O3/c1-10(2)14-3-4-16-5-6-17-8-11(12)7-13-9-15/h9-11,14H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide?
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide has a molecular weight of 250.31 g/mol, XLogP of 0.10, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide is sourced from PubChem (CID 155582507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).