2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one

C16H25NO2 — CID 55010842

IUPAC2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCCN(C(C)COC)C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-6-17(13(3)11-19-5)14(4)16(18)15-9-7-12(2)8-10-15/h7-10,13-14H,6,11H2,1-5H3
InChIKeyZJRJSVICYDWFSG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.92
Rot. Bonds7

About 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one

2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 55010842) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
PubChem CID55010842
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCCN(C(C)COC)C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-6-17(13(3)11-19-5)14(4)16(18)15-9-7-12(2)8-10-15/h7-10,13-14H,6,11H2,1-5H3
InChIKeyZJRJSVICYDWFSG-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one (CID 55010842) is 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one is CCN(C(C)COC)C(C)C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is ZJRJSVICYDWFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-17(13(3)11-19-5)14(4)16(18)15-9-7-12(2)8-10-15/h7-10,13-14H,6,11H2,1-5H3.
What are the key properties of 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 55010842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).