3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide

C12H23F2NO3 — CID 103525105

IUPAC3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
SMILESCCC(CC)C(O)CNC(=O)CCOCC(F)F
InChIInChI=1S/C12H23F2NO3/c1-3-9(4-2)10(16)7-15-12(17)5-6-18-8-11(13)14/h9-11,16H,3-8H2,1-2H3,(H,15,17)
InChIKeyACUMMPBVGUDTHX-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.57
Rot. Bonds10

About 3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide

3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide (PubChem CID 103525105) has the molecular formula C12H23F2NO3 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
PubChem CID103525105
Molecular FormulaC12H23F2NO3
Molecular Weight267.32 g/mol
Exact Mass267.16
IUPAC Name3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
SMILESCCC(CC)C(O)CNC(=O)CCOCC(F)F
InChIInChI=1S/C12H23F2NO3/c1-3-9(4-2)10(16)7-15-12(17)5-6-18-8-11(13)14/h9-11,16H,3-8H2,1-2H3,(H,15,17)
InChIKeyACUMMPBVGUDTHX-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212435
N-(2-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212738
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212347
4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide
CID 113234511
methyl 2-bromo-3-[3-(2,2-difluoroethoxy)propanoylamino]propanoate
CID 103492443
N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide
CID 106116164
3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
CID 103211866
2-[[3-(2,2-difluoroethoxy)propanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473822
N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide
CID 106288862
4-amino-N-(3-ethyl-2-hydroxypentyl)pentanamide;hydrochloride
CID 120562635
N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide
CID 103211869
N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106131283

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide (CID 103525105) is 3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide is CCC(CC)C(O)CNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide?
The InChIKey is ACUMMPBVGUDTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO3/c1-3-9(4-2)10(16)7-15-12(17)5-6-18-8-11(13)14/h9-11,16H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide?
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide has a molecular weight of 267.32 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide is sourced from PubChem (CID 103525105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).