1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one

C18H21NO2 — CID 115786128

IUPAC1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one
SMILESCCc1ccc(CC(=O)CCc2ccc(OC)cc2)nc1
InChIInChI=1S/C18H21NO2/c1-3-14-4-8-16(19-13-14)12-17(20)9-5-15-6-10-18(21-2)11-7-15/h4,6-8,10-11,13H,3,5,9,12H2,1-2H3
InChIKeyPWNSSQRPTUQLOG-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.40
Rot. Bonds7

About 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one

1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one (PubChem CID 115786128) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one
PubChem CID115786128
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one
SMILESCCc1ccc(CC(=O)CCc2ccc(OC)cc2)nc1
InChIInChI=1S/C18H21NO2/c1-3-14-4-8-16(19-13-14)12-17(20)9-5-15-6-10-18(21-2)11-7-15/h4,6-8,10-11,13H,3,5,9,12H2,1-2H3
InChIKeyPWNSSQRPTUQLOG-UHFFFAOYSA-N
XLogP3.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one
CID 79745887
1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561045
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115822379
5-amino-1-(5-ethyl-2-pyridinyl)hexan-2-one
CID 116571567
1-(4-ethoxyphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 115786182
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
6-chloro-1-(4-methoxyphenyl)hexan-3-one
CID 66046584
[4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid
CID 70420158
1-(4-methoxyphenyl)heptadecan-3-one
CID 91440727
1-(4-methoxyphenyl)nonan-3-one
CID 114966639
1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
CID 116554816
1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
CID 116562736

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one (CID 115786128) is 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one is CCc1ccc(CC(=O)CCc2ccc(OC)cc2)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one?
The InChIKey is PWNSSQRPTUQLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-14-4-8-16(19-13-14)12-17(20)9-5-15-6-10-18(21-2)11-7-15/h4,6-8,10-11,13H,3,5,9,12H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one?
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one has a molecular weight of 283.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one is sourced from PubChem (CID 115786128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).