3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide

C13H25FN2O5 — CID 164592894

IUPAC3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide
SMILESCC(=O)NCCOCCOCCOCCC(=O)NCCF
InChIInChI=1S/C13H25FN2O5/c1-12(17)15-5-7-20-9-11-21-10-8-19-6-2-13(18)16-4-3-14/h2-11H2,1H3,(H,15,17)(H,16,18)
InChIKeyKTLCUMHHQHXKAS-UHFFFAOYSA-N
MW308.35 g/mol
LogP-0.35
Rot. Bonds14

About 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide

3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide (PubChem CID 164592894) has the molecular formula C13H25FN2O5 and a molecular weight of 308.35 g/mol. Its IUPAC name is 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide.

Molecular Properties

Compound Name3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide
PubChem CID164592894
Molecular FormulaC13H25FN2O5
Molecular Weight308.35 g/mol
Exact Mass308.17
IUPAC Name3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide
SMILESCC(=O)NCCOCCOCCOCCC(=O)NCCF
InChIInChI=1S/C13H25FN2O5/c1-12(17)15-5-7-20-9-11-21-10-8-19-6-2-13(18)16-4-3-14/h2-11H2,1H3,(H,15,17)(H,16,18)
InChIKeyKTLCUMHHQHXKAS-UHFFFAOYSA-N
XLogP-0.35
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 167096270
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide
CID 91082226
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 171819363
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide?
The IUPAC name of 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide (CID 164592894) is 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide.
What is the SMILES notation for 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide?
The canonical SMILES for 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide is CC(=O)NCCOCCOCCOCCC(=O)NCCF.
What is the InChIKey of 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide?
The InChIKey is KTLCUMHHQHXKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O5/c1-12(17)15-5-7-20-9-11-21-10-8-19-6-2-13(18)16-4-3-14/h2-11H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide?
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide has a molecular weight of 308.35 g/mol, XLogP of -0.35, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide is sourced from PubChem (CID 164592894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).