3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

C13H19FN2O2 — CID 112738957

IUPAC3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESNCCOCCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2/c14-12-3-1-11(2-4-12)5-8-16-13(17)6-9-18-10-7-15/h1-4H,5-10,15H2,(H,16,17)
InChIKeyWJCUSASCUWTAKE-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.85
Rot. Bonds8

About 3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 112738957) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID112738957
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESNCCOCCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2/c14-12-3-1-11(2-4-12)5-8-16-13(17)6-9-18-10-7-15/h1-4H,5-10,15H2,(H,16,17)
InChIKeyWJCUSASCUWTAKE-UHFFFAOYSA-N
XLogP0.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.85
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-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993396
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 115157410
2-(2-aminoethoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 79473444
N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide
CID 82354281
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 112738957) is 3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is NCCOCCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is WJCUSASCUWTAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c14-12-3-1-11(2-4-12)5-8-16-13(17)6-9-18-10-7-15/h1-4H,5-10,15H2,(H,16,17).
What are the key properties of 3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 254.30 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 112738957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).