2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone

C18H27NO2 — CID 63713462

IUPAC2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CN(C)CC2CCCOC2)cc1
InChIInChI=1S/C18H27NO2/c1-14(2)16-6-8-17(9-7-16)18(20)12-19(3)11-15-5-4-10-21-13-15/h6-9,14-15H,4-5,10-13H2,1-3H3
InChIKeyMZISJZPGSWFRRB-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.35
Rot. Bonds6

About 2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone

2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 63713462) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
PubChem CID63713462
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CN(C)CC2CCCOC2)cc1
InChIInChI=1S/C18H27NO2/c1-14(2)16-6-8-17(9-7-16)18(20)12-19(3)11-15-5-4-10-21-13-15/h6-9,14-15H,4-5,10-13H2,1-3H3
InChIKeyMZISJZPGSWFRRB-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712788
1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63713632
1-(4-bromophenyl)-3-[methyl(oxan-3-ylmethyl)amino]propan-1-one
CID 63712506
1-(2,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63713465
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
3-[methyl-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]propanoic acid
CID 82136248
4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline
CID 63726580
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one
CID 63712793
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712606

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone (CID 63713462) is 2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CN(C)CC2CCCOC2)cc1.
What is the InChIKey of 2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is MZISJZPGSWFRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(2)16-6-8-17(9-7-16)18(20)12-19(3)11-15-5-4-10-21-13-15/h6-9,14-15H,4-5,10-13H2,1-3H3.
What are the key properties of 2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone?
2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 289.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 63713462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).