3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide

C15H21FN2O2 — CID 2901892

IUPAC3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide
SMILESCC1CN(CCC(=O)Nc2ccccc2F)CC(C)O1
InChIInChI=1S/C15H21FN2O2/c1-11-9-18(10-12(2)20-11)8-7-15(19)17-14-6-4-3-5-13(14)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)
InChIKeyJWQSBGYFIJATBJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.26
Rot. Bonds4

About 3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide

3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide (PubChem CID 2901892) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide
PubChem CID2901892
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide
SMILESCC1CN(CCC(=O)Nc2ccccc2F)CC(C)O1
InChIInChI=1S/C15H21FN2O2/c1-11-9-18(10-12(2)20-11)8-7-15(19)17-14-6-4-3-5-13(14)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)
InChIKeyJWQSBGYFIJATBJ-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide (CID 2901892) is 3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide is CC1CN(CCC(=O)Nc2ccccc2F)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide?
The InChIKey is JWQSBGYFIJATBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11-9-18(10-12(2)20-11)8-7-15(19)17-14-6-4-3-5-13(14)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide?
3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide has a molecular weight of 280.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 2901892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).