N-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide

C17H24F2N2O2 — CID 50962745

IUPACN-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide
SMILESCN(CCC(=O)Nc1cc(F)ccc1F)CCC1CCOCC1
InChIInChI=1S/C17H24F2N2O2/c1-21(8-4-13-6-10-23-11-7-13)9-5-17(22)20-16-12-14(18)2-3-15(16)19/h2-3,12-13H,4-11H2,1H3,(H,20,22)
InChIKeyMXGYMLRWYFPZPT-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.04
Rot. Bonds7

About N-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide

N-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide (PubChem CID 50962745) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide
PubChem CID50962745
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC NameN-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide
SMILESCN(CCC(=O)Nc1cc(F)ccc1F)CCC1CCOCC1
InChIInChI=1S/C17H24F2N2O2/c1-21(8-4-13-6-10-23-11-7-13)9-5-17(22)20-16-12-14(18)2-3-15(16)19/h2-3,12-13H,4-11H2,1H3,(H,20,22)
InChIKeyMXGYMLRWYFPZPT-UHFFFAOYSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide (CID 50962745) is N-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide is CN(CCC(=O)Nc1cc(F)ccc1F)CCC1CCOCC1.
What is the InChIKey of N-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide?
The InChIKey is MXGYMLRWYFPZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-21(8-4-13-6-10-23-11-7-13)9-5-17(22)20-16-12-14(18)2-3-15(16)19/h2-3,12-13H,4-11H2,1H3,(H,20,22).
What are the key properties of N-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide?
N-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide has a molecular weight of 326.39 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]propanamide is sourced from PubChem (CID 50962745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).