2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one

C18H20N2O — CID 170908629

IUPAC2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one
SMILESCCNC1(c2ccccc2)c2ccccc2C(=O)N1CC
InChIInChI=1S/C18H20N2O/c1-3-19-18(14-10-6-5-7-11-14)16-13-9-8-12-15(16)17(21)20(18)4-2/h5-13,19H,3-4H2,1-2H3
InChIKeyKFAJFZPHZMVMIZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.97
Rot. Bonds4

About 2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one

2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one (PubChem CID 170908629) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one.

Molecular Properties

Compound Name2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one
PubChem CID170908629
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one
SMILESCCNC1(c2ccccc2)c2ccccc2C(=O)N1CC
InChIInChI=1S/C18H20N2O/c1-3-19-18(14-10-6-5-7-11-14)16-13-9-8-12-15(16)17(21)20(18)4-2/h5-13,19H,3-4H2,1-2H3
InChIKeyKFAJFZPHZMVMIZ-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-3-hydroxy-3-phenylisoindol-1-one
CID 4086644
2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one
CID 23965214
(3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one
CID 124628887
2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one
CID 5121880
(3S)-3-(4-methoxyanilino)-2-(4-methoxyphenyl)-3-phenylisoindol-1-one
CID 41022145
1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one
CID 56695228
(4S,5S)-1,3-diethyl-4,5-dihydroxy-4,5-diphenylimidazolidin-2-one
CID 789461
(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one
CID 848840
ethane;4-(1-methyl-3-oxo-1-phenylisoindol-2-yl)butanal
CID 143194298
(3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
CID 40573803
3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one
CID 54778185
methyl 2-[2-(2-methylpropyl)-3-oxo-1-phenylisoindol-1-yl]acetate
CID 15877346

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one?
The IUPAC name of 2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one (CID 170908629) is 2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one.
What is the SMILES notation for 2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one?
The canonical SMILES for 2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one is CCNC1(c2ccccc2)c2ccccc2C(=O)N1CC.
What is the InChIKey of 2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one?
The InChIKey is KFAJFZPHZMVMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-19-18(14-10-6-5-7-11-14)16-13-9-8-12-15(16)17(21)20(18)4-2/h5-13,19H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one?
2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one has a molecular weight of 280.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one is sourced from PubChem (CID 170908629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).