3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide

C14H20F2N2O2 — CID 119951069

IUPAC3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
SMILESCOCCN(CC(F)F)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H20F2N2O2/c1-20-8-7-18(10-13(15)16)14(19)9-12(17)11-5-3-2-4-6-11/h2-6,12-13H,7-10,17H2,1H3
InChIKeyRDSQSULWTQUAKQ-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.82
Rot. Bonds8

About 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide

3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide (PubChem CID 119951069) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
PubChem CID119951069
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
SMILESCOCCN(CC(F)F)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H20F2N2O2/c1-20-8-7-18(10-13(15)16)14(19)9-12(17)11-5-3-2-4-6-11/h2-6,12-13H,7-10,17H2,1H3
InChIKeyRDSQSULWTQUAKQ-UHFFFAOYSA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide (CID 119951069) is 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide is COCCN(CC(F)F)C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide?
The InChIKey is RDSQSULWTQUAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-20-8-7-18(10-13(15)16)14(19)9-12(17)11-5-3-2-4-6-11/h2-6,12-13H,7-10,17H2,1H3.
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide?
3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide has a molecular weight of 286.32 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 119951069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).