1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one

C19H29NO — CID 114601958

IUPAC1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1ccccc1C1CCC1
InChIInChI=1S/C19H29NO/c1-5-19(4,20(6-2)7-3)18(21)17-14-9-8-13-16(17)15-11-10-12-15/h8-9,13-15H,5-7,10-12H2,1-4H3
InChIKeyOUFJBUVVOKARPN-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.65
Rot. Bonds7

About 1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one

1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one (PubChem CID 114601958) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
PubChem CID114601958
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1ccccc1C1CCC1
InChIInChI=1S/C19H29NO/c1-5-19(4,20(6-2)7-3)18(21)17-14-9-8-13-16(17)15-11-10-12-15/h8-9,13-15H,5-7,10-12H2,1-4H3
InChIKeyOUFJBUVVOKARPN-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one?
The IUPAC name of 1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one (CID 114601958) is 1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one?
The canonical SMILES for 1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one is CCN(CC)C(C)(CC)C(=O)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one?
The InChIKey is OUFJBUVVOKARPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-19(4,20(6-2)7-3)18(21)17-14-9-8-13-16(17)15-11-10-12-15/h8-9,13-15H,5-7,10-12H2,1-4H3.
What are the key properties of 1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one?
1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one is sourced from PubChem (CID 114601958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).