N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide

C15H31FN2O4 — CID 166118081

IUPACN-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCNCCOCCOCCOCCC(F)CNC(=O)C(C)C
InChIInChI=1S/C15H31FN2O4/c1-13(2)15(19)18-12-14(16)4-6-20-8-10-22-11-9-21-7-5-17-3/h13-14,17H,4-12H2,1-3H3,(H,18,19)
InChIKeyOOFZLBBMLBDGKM-UHFFFAOYSA-N
MW322.42 g/mol
LogP0.76
Rot. Bonds15

About N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide

N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide (PubChem CID 166118081) has the molecular formula C15H31FN2O4 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
PubChem CID166118081
Molecular FormulaC15H31FN2O4
Molecular Weight322.42 g/mol
Exact Mass322.23
IUPAC NameN-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCNCCOCCOCCOCCC(F)CNC(=O)C(C)C
InChIInChI=1S/C15H31FN2O4/c1-13(2)15(19)18-12-14(16)4-6-20-8-10-22-11-9-21-7-5-17-3/h13-14,17H,4-12H2,1-3H3,(H,18,19)
InChIKeyOOFZLBBMLBDGKM-UHFFFAOYSA-N
XLogP0.76
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 50.76
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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Related Compounds

ethane;N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 153390518
N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
CID 170442191
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727026
N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 147243604
N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium
CID 155739438
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpentanamide
CID 170007437
2-butyl-N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]heptanamide
CID 166678789
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide
CID 156795155
ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 145320250
2-methyl-N-[5-[5-(methylamino)pentoxy]pentyl]propanamide
CID 156794993
2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide
CID 170007769

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide (CID 166118081) is N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide is CNCCOCCOCCOCCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The InChIKey is OOFZLBBMLBDGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2O4/c1-13(2)15(19)18-12-14(16)4-6-20-8-10-22-11-9-21-7-5-17-3/h13-14,17H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide has a molecular weight of 322.42 g/mol, XLogP of 0.76, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide is sourced from PubChem (CID 166118081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).