2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide

C28H27N3O2 — CID 3331200

IUPAC2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)c2ccccc2C1c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C28H27N3O2/c1-3-17-29-24(32)18-31-27(20-13-7-8-14-21(20)28(31)33)25-22-15-9-10-16-23(22)30(2)26(25)19-11-5-4-6-12-19/h4-16,27H,3,17-18H2,1-2H3,(H,29,32)
InChIKeyOZCKIDYJPVEGSZ-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.92
Rot. Bonds6

About 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide

2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide (PubChem CID 3331200) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide
PubChem CID3331200
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Name2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)c2ccccc2C1c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C28H27N3O2/c1-3-17-29-24(32)18-31-27(20-13-7-8-14-21(20)28(31)33)25-22-15-9-10-16-23(22)30(2)26(25)19-11-5-4-6-12-19/h4-16,27H,3,17-18H2,1-2H3,(H,29,32)
InChIKeyOZCKIDYJPVEGSZ-UHFFFAOYSA-N
XLogP4.92
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide?
The IUPAC name of 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide (CID 3331200) is 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide.
What is the SMILES notation for 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide?
The canonical SMILES for 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide is CCCNC(=O)CN1C(=O)c2ccccc2C1c1c(-c2ccccc2)n(C)c2ccccc12.
What is the InChIKey of 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide?
The InChIKey is OZCKIDYJPVEGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-3-17-29-24(32)18-31-27(20-13-7-8-14-21(20)28(31)33)25-22-15-9-10-16-23(22)30(2)26(25)19-11-5-4-6-12-19/h4-16,27H,3,17-18H2,1-2H3,(H,29,32).
What are the key properties of 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide?
2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide has a molecular weight of 437.54 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide is sourced from PubChem (CID 3331200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).