3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one

C29H30N2O2 — CID 174979583

IUPAC3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one
SMILESCCCc1[nH]c2ccccc2c1C1(c2ccc(N(CC)CC)cc2)OC(=O)c2ccccc21
InChIInChI=1S/C29H30N2O2/c1-4-11-26-27(23-13-8-10-15-25(23)30-26)29(24-14-9-7-12-22(24)28(32)33-29)20-16-18-21(19-17-20)31(5-2)6-3/h7-10,12-19,30H,4-6,11H2,1-3H3
InChIKeyPOHKBYOSOLQZPH-UHFFFAOYSA-N
MW438.57 g/mol
LogP6.43
Rot. Bonds7

About 3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one

3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one (PubChem CID 174979583) has the molecular formula C29H30N2O2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one
PubChem CID174979583
Molecular FormulaC29H30N2O2
Molecular Weight438.57 g/mol
Exact Mass438.23
IUPAC Name3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one
SMILESCCCc1[nH]c2ccccc2c1C1(c2ccc(N(CC)CC)cc2)OC(=O)c2ccccc21
InChIInChI=1S/C29H30N2O2/c1-4-11-26-27(23-13-8-10-15-25(23)30-26)29(24-14-9-7-12-22(24)28(32)33-29)20-16-18-21(19-17-20)31(5-2)6-3/h7-10,12-19,30H,4-6,11H2,1-3H3
InChIKeyPOHKBYOSOLQZPH-UHFFFAOYSA-N
XLogP6.43
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzylbenzene;3-[4-(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one
CID 159967155
3,3-bis[4-(dibutylamino)phenyl]-2-benzofuran-1-one
CID 22292500
3',6'-bis[4-(diethylamino)anilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 11422222
3-[4-(dibutylamino)phenyl]-3-(1-ethyl-2-phenylindol-3-yl)-2-benzofuran-1-one
CID 139704931
3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one
CID 20523540
3-[4-(dimethylamino)phenyl]-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one
CID 19073958
3,3-bis[4-(diethylamino)-2-ethylsulfanylphenyl]-2-benzofuran-1-one;7,7-bis[4-(diethylamino)-2-ethylsulfanylphenyl]furo[3,4-b]pyridin-5-one;3-[4-(diethylamino)-2-ethylsulfanylphenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one
CID 161087382
10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 90471691
3,3-bis[4-(dibutylamino)-2-methylphenyl]-2-benzofuran-1-one;3,3-bis[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one
CID 157114567
6'-(diethylamino)-1'-(2-fluoroanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139769566
3-(1,2-dimethylindol-3-yl)-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one
CID 22755094
1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one
CID 139642820

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one?
The IUPAC name of 3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one (CID 174979583) is 3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one.
What is the SMILES notation for 3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one?
The canonical SMILES for 3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one is CCCc1[nH]c2ccccc2c1C1(c2ccc(N(CC)CC)cc2)OC(=O)c2ccccc21.
What is the InChIKey of 3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one?
The InChIKey is POHKBYOSOLQZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O2/c1-4-11-26-27(23-13-8-10-15-25(23)30-26)29(24-14-9-7-12-22(24)28(32)33-29)20-16-18-21(19-17-20)31(5-2)6-3/h7-10,12-19,30H,4-6,11H2,1-3H3.
What are the key properties of 3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one?
3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one has a molecular weight of 438.57 g/mol, XLogP of 6.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one is sourced from PubChem (CID 174979583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).