N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide

C15H31FN2O4 — CID 142616557

IUPACN-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide
SMILESCC(=O)NCC(F)COCCOCCOC(C)CNC(C)C
InChIInChI=1S/C15H31FN2O4/c1-12(2)17-9-13(3)22-8-7-20-5-6-21-11-15(16)10-18-14(4)19/h12-13,15,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyVRNNBFYZNKBSDI-UHFFFAOYSA-N
MW322.42 g/mol
LogP0.90
Rot. Bonds14

About N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide

N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide (PubChem CID 142616557) has the molecular formula C15H31FN2O4 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide
PubChem CID142616557
Molecular FormulaC15H31FN2O4
Molecular Weight322.42 g/mol
Exact Mass322.23
IUPAC NameN-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide
SMILESCC(=O)NCC(F)COCCOCCOC(C)CNC(C)C
InChIInChI=1S/C15H31FN2O4/c1-12(2)17-9-13(3)22-8-7-20-5-6-21-11-15(16)10-18-14(4)19/h12-13,15,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyVRNNBFYZNKBSDI-UHFFFAOYSA-N
XLogP0.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide (CID 142616557) is N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide is CC(=O)NCC(F)COCCOCCOC(C)CNC(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide?
The InChIKey is VRNNBFYZNKBSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2O4/c1-12(2)17-9-13(3)22-8-7-20-5-6-21-11-15(16)10-18-14(4)19/h12-13,15,17H,5-11H2,1-4H3,(H,18,19).
What are the key properties of N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide?
N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide has a molecular weight of 322.42 g/mol, XLogP of 0.90, 14 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-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]acetamide is sourced from PubChem (CID 142616557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).