1-(4-cyclobutylphenyl)-2-(methylamino)ethanone

C13H17NO — CID 116553849

IUPAC1-(4-cyclobutylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C13H17NO/c1-14-9-13(15)12-7-5-11(6-8-12)10-3-2-4-10/h5-8,10,14H,2-4,9H2,1H3
InChIKeyYBLZMJANNOVUQA-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.36
Rot. Bonds4

About 1-(4-cyclobutylphenyl)-2-(methylamino)ethanone

1-(4-cyclobutylphenyl)-2-(methylamino)ethanone (PubChem CID 116553849) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-(methylamino)ethanone
PubChem CID116553849
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(4-cyclobutylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C13H17NO/c1-14-9-13(15)12-7-5-11(6-8-12)10-3-2-4-10/h5-8,10,14H,2-4,9H2,1H3
InChIKeyYBLZMJANNOVUQA-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone
CID 116505606
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105131775
2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone
CID 116505609
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
CID 71165542
4-chloro-1-(4-cyclobutylphenyl)butan-1-one
CID 116505632
1-(4-cyclobutylphenyl)-3-methoxy-3-methylbutan-1-one
CID 103023554
4-cyclobutyl-N-propan-2-ylbenzamide
CID 174282086
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-(methylamino)ethanone (CID 116553849) is 1-(4-cyclobutylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-(methylamino)ethanone?
The InChIKey is YBLZMJANNOVUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-9-13(15)12-7-5-11(6-8-12)10-3-2-4-10/h5-8,10,14H,2-4,9H2,1H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2-(methylamino)ethanone?
1-(4-cyclobutylphenyl)-2-(methylamino)ethanone has a molecular weight of 203.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 116553849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).