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

C28H25N3O2 — CID 5025350

IUPAC2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1C(=O)c2ccccc2C1c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C28H25N3O2/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/h3-16,27H,1,17-18H2,2H3,(H,29,32)
InChIKeyGAMWJJAJELMOAH-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.69
Rot. Bonds6

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

2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-prop-2-enylacetamide (PubChem CID 5025350) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-prop-2-enylacetamide
PubChem CID5025350
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1C(=O)c2ccccc2C1c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C28H25N3O2/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/h3-16,27H,1,17-18H2,2H3,(H,29,32)
InChIKeyGAMWJJAJELMOAH-UHFFFAOYSA-N
XLogP4.69
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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-prop-2-enylacetamide?
The IUPAC name of 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-prop-2-enylacetamide (CID 5025350) is 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-prop-2-enylacetamide is C=CCNC(=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-prop-2-enylacetamide?
The InChIKey is GAMWJJAJELMOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/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/h3-16,27H,1,17-18H2,2H3,(H,29,32).
What are the key properties of 2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-prop-2-enylacetamide?
2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-prop-2-enylacetamide has a molecular weight of 435.53 g/mol, XLogP of 4.69, 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-prop-2-enylacetamide is sourced from PubChem (CID 5025350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).