2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide

C15H23NO2 — CID 67804139

IUPAC2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide
SMILESCCC(CC)C(=O)N(c1ccccc1)C(C)OC
InChIInChI=1S/C15H23NO2/c1-5-13(6-2)15(17)16(12(3)18-4)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3
InChIKeyAPLQBUWURCJVLV-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.45
Rot. Bonds6

About 2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide

2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide (PubChem CID 67804139) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide.

Molecular Properties

Compound Name2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide
PubChem CID67804139
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide
SMILESCCC(CC)C(=O)N(c1ccccc1)C(C)OC
InChIInChI=1S/C15H23NO2/c1-5-13(6-2)15(17)16(12(3)18-4)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3
InChIKeyAPLQBUWURCJVLV-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide?
The IUPAC name of 2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide (CID 67804139) is 2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide.
What is the SMILES notation for 2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide?
The canonical SMILES for 2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide is CCC(CC)C(=O)N(c1ccccc1)C(C)OC.
What is the InChIKey of 2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide?
The InChIKey is APLQBUWURCJVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-13(6-2)15(17)16(12(3)18-4)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide?
2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide has a molecular weight of 249.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide is sourced from PubChem (CID 67804139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).