2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane

C18H31NO — CID 145053921

IUPAC2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane
SMILESCC.CCN(CC)C(Cc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C16H25NO.C2H6/c1-5-17(6-2)15(16(18)13(3)4)12-14-10-8-7-9-11-14;1-2/h7-11,13,15H,5-6,12H2,1-4H3;1-2H3
InChIKeyQONDVSLVGITJLO-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.19
Rot. Bonds7

About 2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane

2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane (PubChem CID 145053921) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane.

Molecular Properties

Compound Name2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane
PubChem CID145053921
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane
SMILESCC.CCN(CC)C(Cc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C16H25NO.C2H6/c1-5-17(6-2)15(16(18)13(3)4)12-14-10-8-7-9-11-14;1-2/h7-11,13,15H,5-6,12H2,1-4H3;1-2H3
InChIKeyQONDVSLVGITJLO-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-1-phenylpropan-2-amine
CID 521361
2-(diethylamino)-3-(4-ethylphenyl)propanoic acid
CID 83969905
(2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid
CID 98822926
3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid
CID 65060873
(2S)-2-(diethylamino)-3-(4-phenoxyphenyl)propanoic acid
CID 100553369
(4R)-4-benzyl-5-ethyl-2-methylheptan-3-one
CID 118445215
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4,6-dimethyl-1-phenylheptan-3-one
CID 101151798
2-hydroxy-4-methyl-1-phenylpentan-3-one;2-methylpropanoic acid
CID 174968865
(2R)-2-(diethylamino)-3-(4-iodophenyl)propanoic acid
CID 100552636
(2R)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822956
(2S)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822955
N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine
CID 59895630

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane?
The IUPAC name of 2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane (CID 145053921) is 2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane.
What is the SMILES notation for 2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane?
The canonical SMILES for 2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane is CC.CCN(CC)C(Cc1ccccc1)C(=O)C(C)C.
What is the InChIKey of 2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane?
The InChIKey is QONDVSLVGITJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.C2H6/c1-5-17(6-2)15(16(18)13(3)4)12-14-10-8-7-9-11-14;1-2/h7-11,13,15H,5-6,12H2,1-4H3;1-2H3.
What are the key properties of 2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane?
2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane has a molecular weight of 277.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane is sourced from PubChem (CID 145053921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).