3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide

C15H23FN2O2 — CID 174935651

IUPAC3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide
SMILESCCON(CC)C(=O)CC(N)c1ccc(F)c(CC)c1
InChIInChI=1S/C15H23FN2O2/c1-4-11-9-12(7-8-13(11)16)14(17)10-15(19)18(5-2)20-6-3/h7-9,14H,4-6,10,17H2,1-3H3
InChIKeyVUEXGVDWSJOSGU-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.58
Rot. Bonds7

About 3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide

3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide (PubChem CID 174935651) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide
PubChem CID174935651
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide
SMILESCCON(CC)C(=O)CC(N)c1ccc(F)c(CC)c1
InChIInChI=1S/C15H23FN2O2/c1-4-11-9-12(7-8-13(11)16)14(17)10-15(19)18(5-2)20-6-3/h7-9,14H,4-6,10,17H2,1-3H3
InChIKeyVUEXGVDWSJOSGU-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide?
The IUPAC name of 3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide (CID 174935651) is 3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide.
What is the SMILES notation for 3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide?
The canonical SMILES for 3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide is CCON(CC)C(=O)CC(N)c1ccc(F)c(CC)c1.
What is the InChIKey of 3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide?
The InChIKey is VUEXGVDWSJOSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-11-9-12(7-8-13(11)16)14(17)10-15(19)18(5-2)20-6-3/h7-9,14H,4-6,10,17H2,1-3H3.
What are the key properties of 3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide?
3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide has a molecular weight of 282.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide is sourced from PubChem (CID 174935651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).