N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide

C8H16F2N2O2 — CID 107493240

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)N(CCN)CC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-6(14-2)8(13)12(4-3-11)5-7(9)10/h6-7H,3-5,11H2,1-2H3
InChIKeyNNCNRRVUGWDZNR-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.07
Rot. Bonds6

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide (PubChem CID 107493240) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide
PubChem CID107493240
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)N(CCN)CC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-6(14-2)8(13)12(4-3-11)5-7(9)10/h6-7H,3-5,11H2,1-2H3
InChIKeyNNCNRRVUGWDZNR-UHFFFAOYSA-N
XLogP0.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide (CID 107493240) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide is COC(C)C(=O)N(CCN)CC(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide?
The InChIKey is NNCNRRVUGWDZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-6(14-2)8(13)12(4-3-11)5-7(9)10/h6-7H,3-5,11H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide has a molecular weight of 210.22 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide is sourced from PubChem (CID 107493240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).