3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one

C22H22N2O3 — CID 86300684

IUPAC3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one
SMILESCCCN1C(=O)C(O)(CC(=O)c2c[nH]c3ccccc23)c2cc(C)ccc21
InChIInChI=1S/C22H22N2O3/c1-3-10-24-19-9-8-14(2)11-17(19)22(27,21(24)26)12-20(25)16-13-23-18-7-5-4-6-15(16)18/h4-9,11,13,23,27H,3,10,12H2,1-2H3
InChIKeyVEVSMQXPESBWOC-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.69
Rot. Bonds5

About 3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one

3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one (PubChem CID 86300684) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one
PubChem CID86300684
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one
SMILESCCCN1C(=O)C(O)(CC(=O)c2c[nH]c3ccccc23)c2cc(C)ccc21
InChIInChI=1S/C22H22N2O3/c1-3-10-24-19-9-8-14(2)11-17(19)22(27,21(24)26)12-20(25)16-13-23-18-7-5-4-6-15(16)18/h4-9,11,13,23,27H,3,10,12H2,1-2H3
InChIKeyVEVSMQXPESBWOC-UHFFFAOYSA-N
XLogP3.69
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one?
The IUPAC name of 3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one (CID 86300684) is 3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one is CCCN1C(=O)C(O)(CC(=O)c2c[nH]c3ccccc23)c2cc(C)ccc21.
What is the InChIKey of 3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one?
The InChIKey is VEVSMQXPESBWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-3-10-24-19-9-8-14(2)11-17(19)22(27,21(24)26)12-20(25)16-13-23-18-7-5-4-6-15(16)18/h4-9,11,13,23,27H,3,10,12H2,1-2H3.
What are the key properties of 3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one?
3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one has a molecular weight of 362.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-1-propylindol-2-one is sourced from PubChem (CID 86300684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).