3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide

C18H26F2N2O2 — CID 46480844

IUPAC3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide
SMILESCC1CN(C(C)CNC(=O)CCc2ccc(F)c(F)c2)CC(C)O1
InChIInChI=1S/C18H26F2N2O2/c1-12(22-10-13(2)24-14(3)11-22)9-21-18(23)7-5-15-4-6-16(19)17(20)8-15/h4,6,8,12-14H,5,7,9-11H2,1-3H3,(H,21,23)
InChIKeyBOMABPBLNFZTTP-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.51
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide

3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide (PubChem CID 46480844) has the molecular formula C18H26F2N2O2 and a molecular weight of 340.41 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide
PubChem CID46480844
Molecular FormulaC18H26F2N2O2
Molecular Weight340.41 g/mol
Exact Mass340.20
IUPAC Name3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide
SMILESCC1CN(C(C)CNC(=O)CCc2ccc(F)c(F)c2)CC(C)O1
InChIInChI=1S/C18H26F2N2O2/c1-12(22-10-13(2)24-14(3)11-22)9-21-18(23)7-5-15-4-6-16(19)17(20)8-15/h4,6,8,12-14H,5,7,9-11H2,1-3H3,(H,21,23)
InChIKeyBOMABPBLNFZTTP-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide (CID 46480844) is 3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide is CC1CN(C(C)CNC(=O)CCc2ccc(F)c(F)c2)CC(C)O1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide?
The InChIKey is BOMABPBLNFZTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2/c1-12(22-10-13(2)24-14(3)11-22)9-21-18(23)7-5-15-4-6-16(19)17(20)8-15/h4,6,8,12-14H,5,7,9-11H2,1-3H3,(H,21,23).
What are the key properties of 3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide?
3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide has a molecular weight of 340.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide is sourced from PubChem (CID 46480844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).