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

C14H29FN2O4 — CID 142616054

IUPACN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide
SMILESCC(=O)NCC(F)COCCOCCOCCNC(C)C
InChIInChI=1S/C14H29FN2O4/c1-12(2)16-4-5-19-6-7-20-8-9-21-11-14(15)10-17-13(3)18/h12,14,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyDJWGXLDCBGLPLE-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.51
Rot. Bonds14

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

N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide (PubChem CID 142616054) 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]ethoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide
PubChem CID142616054
Molecular FormulaC14H29FN2O4
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide
SMILESCC(=O)NCC(F)COCCOCCOCCNC(C)C
InChIInChI=1S/C14H29FN2O4/c1-12(2)16-4-5-19-6-7-20-8-9-21-11-14(15)10-17-13(3)18/h12,14,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyDJWGXLDCBGLPLE-UHFFFAOYSA-N
XLogP0.51
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
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': '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-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide (CID 142616054) is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide is CC(=O)NCC(F)COCCOCCOCCNC(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide?
The InChIKey is DJWGXLDCBGLPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O4/c1-12(2)16-4-5-19-6-7-20-8-9-21-11-14(15)10-17-13(3)18/h12,14,16H,4-11H2,1-3H3,(H,17,18).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide?
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide has a molecular weight of 308.39 g/mol, XLogP of 0.51, 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-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide is sourced from PubChem (CID 142616054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).