1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one

C19H29NO — CID 114601959

IUPAC1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C19H29NO/c1-5-19(4,20(6-2)7-3)18(21)17-13-9-12-16(14-17)15-10-8-11-15/h9,12-15H,5-8,10-11H2,1-4H3
InChIKeyCXGHOKNKHIMVOW-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.65
Rot. Bonds7

About 1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one

1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one (PubChem CID 114601959) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
PubChem CID114601959
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C19H29NO/c1-5-19(4,20(6-2)7-3)18(21)17-13-9-12-16(14-17)15-10-8-11-15/h9,12-15H,5-8,10-11H2,1-4H3
InChIKeyCXGHOKNKHIMVOW-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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Related Compounds

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1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 114601958
2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one
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(E)-1-(3-cyclobutylphenyl)pent-2-en-1-one
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1-(3-cyclobutylphenyl)-3,5,5-trimethylhexan-1-one
CID 115814546
2-amino-1-(3-cyclohexylphenyl)ethanone
CID 83836181
(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447908
3-amino-1-(3-cyclobutylphenyl)pentan-1-one
CID 114607770
N-tert-butyl-3-cyclopropyl-N-methylbenzamide
CID 138467117
1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
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CID 115814724

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one (CID 114601959) is 1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one is CCN(CC)C(C)(CC)C(=O)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one?
The InChIKey is CXGHOKNKHIMVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-19(4,20(6-2)7-3)18(21)17-13-9-12-16(14-17)15-10-8-11-15/h9,12-15H,5-8,10-11H2,1-4H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one?
1-(3-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-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one is sourced from PubChem (CID 114601959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).