N-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide

C18H35FN2O7 — CID 138727787

IUPACN-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide
SMILESCCOCC(=O)NCCOCCOCCOCCOCC(F)CNC(=O)CC
InChIInChI=1S/C18H35FN2O7/c1-3-17(22)21-13-16(19)14-28-12-11-27-10-9-26-8-7-25-6-5-20-18(23)15-24-4-2/h16H,3-15H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyLMCZNLSQESPKKB-UHFFFAOYSA-N
MW410.48 g/mol
LogP0.07
Rot. Bonds20

About N-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide

N-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide (PubChem CID 138727787) has the molecular formula C18H35FN2O7 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide
PubChem CID138727787
Molecular FormulaC18H35FN2O7
Molecular Weight410.48 g/mol
Exact Mass410.24
IUPAC NameN-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide
SMILESCCOCC(=O)NCCOCCOCCOCCOCC(F)CNC(=O)CC
InChIInChI=1S/C18H35FN2O7/c1-3-17(22)21-13-16(19)14-28-12-11-27-10-9-26-8-7-25-6-5-20-18(23)15-24-4-2/h16H,3-15H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyLMCZNLSQESPKKB-UHFFFAOYSA-N
XLogP0.07
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide?
The IUPAC name of N-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide (CID 138727787) is N-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide.
What is the SMILES notation for N-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide?
The canonical SMILES for N-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide is CCOCC(=O)NCCOCCOCCOCCOCC(F)CNC(=O)CC.
What is the InChIKey of N-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide?
The InChIKey is LMCZNLSQESPKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN2O7/c1-3-17(22)21-13-16(19)14-28-12-11-27-10-9-26-8-7-25-6-5-20-18(23)15-24-4-2/h16H,3-15H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide?
N-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide has a molecular weight of 410.48 g/mol, XLogP of 0.07, 20 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide is sourced from PubChem (CID 138727787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).