N-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide

C8H16F2N2O2 — CID 82004331

IUPACN-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide
SMILESCN(CCCN)C(=O)COCC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-12(4-2-3-11)8(13)6-14-5-7(9)10/h7H,2-6,11H2,1H3
InChIKeyFNRGBTJGEGFAFR-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.08
Rot. Bonds7

About N-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide

N-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide (PubChem CID 82004331) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide
PubChem CID82004331
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC NameN-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide
SMILESCN(CCCN)C(=O)COCC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-12(4-2-3-11)8(13)6-14-5-7(9)10/h7H,2-6,11H2,1H3
InChIKeyFNRGBTJGEGFAFR-UHFFFAOYSA-N
XLogP0.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 107206665
N-(2-aminoethyl)-2-ethoxy-N-methylacetamide
CID 61350460
N-(3-aminopropyl)-N-methyl-2-(4-methylpentan-2-yloxy)acetamide
CID 43254258
methyl 4-[3-(2,2-difluoroethoxy)propanoyl-methylamino]butanoate
CID 103209822
ethyl 2-(2,2-difluoroethoxy)acetate
CID 82005115
N-[3-(dimethylamino)propyl]-2-ethoxy-N-methylacetamide
CID 64591351
N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43254054
N-(3-aminopropyl)-2-cyclohexyloxy-N-methylacetamide
CID 43253953
N-(3-aminopropyl)-N-methyl-3-propan-2-yloxypropanamide
CID 43254246
N-(3-aminopropyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 43254240
N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide
CID 82788019
N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
CID 43254229

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide (CID 82004331) is N-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide is CN(CCCN)C(=O)COCC(F)F.
What is the InChIKey of N-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide?
The InChIKey is FNRGBTJGEGFAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-12(4-2-3-11)8(13)6-14-5-7(9)10/h7H,2-6,11H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide?
N-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide has a molecular weight of 210.22 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide is sourced from PubChem (CID 82004331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).