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

C16H33FN2O4 — CID 155405411

IUPACN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCC(C)OCCOCCNC(C)C
InChIInChI=1S/C16H33FN2O4/c1-5-16(20)19-10-15(17)12-22-11-14(4)23-9-8-21-7-6-18-13(2)3/h13-15,18H,5-12H2,1-4H3,(H,19,20)
InChIKeyPIEBGEGWUWIWCP-UHFFFAOYSA-N
MW336.45 g/mol
LogP1.29
Rot. Bonds15

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

N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]propanamide (PubChem CID 155405411) has the molecular formula C16H33FN2O4 and a molecular weight of 336.45 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]propanamide
PubChem CID155405411
Molecular FormulaC16H33FN2O4
Molecular Weight336.45 g/mol
Exact Mass336.24
IUPAC NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCC(C)OCCOCCNC(C)C
InChIInChI=1S/C16H33FN2O4/c1-5-16(20)19-10-15(17)12-22-11-14(4)23-9-8-21-7-6-18-13(2)3/h13-15,18H,5-12H2,1-4H3,(H,19,20)
InChIKeyPIEBGEGWUWIWCP-UHFFFAOYSA-N
XLogP1.29
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 51.29
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]propoxy]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]propanamide (CID 155405411) is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]propanamide is CCC(=O)NCC(F)COCC(C)OCCOCCNC(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]propanamide?
The InChIKey is PIEBGEGWUWIWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FN2O4/c1-5-16(20)19-10-15(17)12-22-11-14(4)23-9-8-21-7-6-18-13(2)3/h13-15,18H,5-12H2,1-4H3,(H,19,20).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]propanamide?
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]propanamide has a molecular weight of 336.45 g/mol, XLogP of 1.29, 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]propanamide is sourced from PubChem (CID 155405411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).