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

C14H29FN2O4 — CID 153390417

IUPACN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide
SMILESCC(C)NCCOCCOC(C)COCC(F)CNC=O
InChIInChI=1S/C14H29FN2O4/c1-12(2)17-4-5-19-6-7-21-13(3)9-20-10-14(15)8-16-11-18/h11-14,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyXSQURGDYCFRQCN-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.51
Rot. Bonds15

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

N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide (PubChem CID 153390417) has the molecular formula C14H29FN2O4 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide
PubChem CID153390417
Molecular FormulaC14H29FN2O4
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide
SMILESCC(C)NCCOCCOC(C)COCC(F)CNC=O
InChIInChI=1S/C14H29FN2O4/c1-12(2)17-4-5-19-6-7-21-13(3)9-20-10-14(15)8-16-11-18/h11-14,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyXSQURGDYCFRQCN-UHFFFAOYSA-N
XLogP0.51
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide
CID 155582507
N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane
CID 155707201
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-[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
N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane
CID 157048796
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

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide (CID 153390417) is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide is CC(C)NCCOCCOC(C)COCC(F)CNC=O.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide?
The InChIKey is XSQURGDYCFRQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O4/c1-12(2)17-4-5-19-6-7-21-13(3)9-20-10-14(15)8-16-11-18/h11-14,17H,4-10H2,1-3H3,(H,16,18).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide?
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide has a molecular weight of 308.39 g/mol, XLogP of 0.51, 15 rotatable bonds, 2 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]ethoxy]propoxy]propyl]formamide is sourced from PubChem (CID 153390417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).