1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone

C15H23NO2 — CID 63008573

IUPAC1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)CCCOC)cc1
InChIInChI=1S/C15H23NO2/c1-4-13-6-8-14(9-7-13)15(17)12-16(2)10-5-11-18-3/h6-9H,4-5,10-12H2,1-3H3
InChIKeyWDTNNSVUGPLJKX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.40
Rot. Bonds8

About 1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone

1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone (PubChem CID 63008573) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
PubChem CID63008573
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)CCCOC)cc1
InChIInChI=1S/C15H23NO2/c1-4-13-6-8-14(9-7-13)15(17)12-16(2)10-5-11-18-3/h6-9H,4-5,10-12H2,1-3H3
InChIKeyWDTNNSVUGPLJKX-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone (CID 63008573) is 1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone is CCc1ccc(C(=O)CN(C)CCCOC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The InChIKey is WDTNNSVUGPLJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-13-6-8-14(9-7-13)15(17)12-16(2)10-5-11-18-3/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone?
1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone has a molecular weight of 249.35 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone is sourced from PubChem (CID 63008573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).