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

C19H40FN3O7 — CID 142616032

IUPAC[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea
SMILESCC(C)NCCOCCOCCOCCOCCOCCOCC(F)CNC(N)=O
InChIInChI=1S/C19H40FN3O7/c1-17(2)22-3-4-25-5-6-26-7-8-27-9-10-28-11-12-29-13-14-30-16-18(20)15-23-19(21)24/h17-18,22H,3-16H2,1-2H3,(H3,21,23,24)
InChIKeyDAUIXHSPDHCRAA-UHFFFAOYSA-N
MW441.54 g/mol
LogP0.09
Rot. Bonds23

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

[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea (PubChem CID 142616032) has the molecular formula C19H40FN3O7 and a molecular weight of 441.54 g/mol. Its IUPAC name is [2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea.

Molecular Properties

Compound Name[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea
PubChem CID142616032
Molecular FormulaC19H40FN3O7
Molecular Weight441.54 g/mol
Exact Mass441.29
IUPAC Name[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea
SMILESCC(C)NCCOCCOCCOCCOCCOCCOCC(F)CNC(N)=O
InChIInChI=1S/C19H40FN3O7/c1-17(2)22-3-4-25-5-6-26-7-8-27-9-10-28-11-12-29-13-14-30-16-18(20)15-23-19(21)24/h17-18,22H,3-16H2,1-2H3,(H3,21,23,24)
InChIKeyDAUIXHSPDHCRAA-UHFFFAOYSA-N
XLogP0.09
TPSA122.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 [2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea?
The IUPAC name of [2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea (CID 142616032) is [2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea.
What is the SMILES notation for [2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea?
The canonical SMILES for [2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea is CC(C)NCCOCCOCCOCCOCCOCCOCC(F)CNC(N)=O.
What is the InChIKey of [2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea?
The InChIKey is DAUIXHSPDHCRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40FN3O7/c1-17(2)22-3-4-25-5-6-26-7-8-27-9-10-28-11-12-29-13-14-30-16-18(20)15-23-19(21)24/h17-18,22H,3-16H2,1-2H3,(H3,21,23,24).
What are the key properties of [2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea?
[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea has a molecular weight of 441.54 g/mol, XLogP of 0.09, 23 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea is sourced from PubChem (CID 142616032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).