N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide

C13H27FN2O2 — CID 138727902

IUPACN-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide
SMILESCCC(=O)NCC(F)C(C)(C)OCCNC(C)C
InChIInChI=1S/C13H27FN2O2/c1-6-12(17)16-9-11(14)13(4,5)18-8-7-15-10(2)3/h10-11,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyIGARFGMELJHQRK-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.64
Rot. Bonds9

About N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide

N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide (PubChem CID 138727902) has the molecular formula C13H27FN2O2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide
PubChem CID138727902
Molecular FormulaC13H27FN2O2
Molecular Weight262.37 g/mol
Exact Mass262.21
IUPAC NameN-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide
SMILESCCC(=O)NCC(F)C(C)(C)OCCNC(C)C
InChIInChI=1S/C13H27FN2O2/c1-6-12(17)16-9-11(14)13(4,5)18-8-7-15-10(2)3/h10-11,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyIGARFGMELJHQRK-UHFFFAOYSA-N
XLogP1.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide?
The IUPAC name of N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide (CID 138727902) is N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide is CCC(=O)NCC(F)C(C)(C)OCCNC(C)C.
What is the InChIKey of N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide?
The InChIKey is IGARFGMELJHQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O2/c1-6-12(17)16-9-11(14)13(4,5)18-8-7-15-10(2)3/h10-11,15H,6-9H2,1-5H3,(H,16,17).
What are the key properties of N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide?
N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide has a molecular weight of 262.37 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide is sourced from PubChem (CID 138727902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).