3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide

C24H26N2O4 — CID 128963249

IUPAC3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)CCn1cc(C(C)=O)c3ccccc31)CC2
InChIInChI=1S/C24H26N2O4/c1-15(27)19-14-26(21-7-5-4-6-17(19)21)11-10-24(28)25-20-9-8-16-12-22(29-2)23(30-3)13-18(16)20/h4-7,12-14,20H,8-11H2,1-3H3,(H,25,28)
InChIKeyFBVNEQBCLHQUHC-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.05
Rot. Bonds7

About 3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide

3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide (PubChem CID 128963249) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide
PubChem CID128963249
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)CCn1cc(C(C)=O)c3ccccc31)CC2
InChIInChI=1S/C24H26N2O4/c1-15(27)19-14-26(21-7-5-4-6-17(19)21)11-10-24(28)25-20-9-8-16-12-22(29-2)23(30-3)13-18(16)20/h4-7,12-14,20H,8-11H2,1-3H3,(H,25,28)
InChIKeyFBVNEQBCLHQUHC-UHFFFAOYSA-N
XLogP4.05
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The IUPAC name of 3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide (CID 128963249) is 3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide.
What is the SMILES notation for 3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The canonical SMILES for 3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide is COc1cc2c(cc1OC)C(NC(=O)CCn1cc(C(C)=O)c3ccccc31)CC2.
What is the InChIKey of 3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The InChIKey is FBVNEQBCLHQUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-15(27)19-14-26(21-7-5-4-6-17(19)21)11-10-24(28)25-20-9-8-16-12-22(29-2)23(30-3)13-18(16)20/h4-7,12-14,20H,8-11H2,1-3H3,(H,25,28).
What are the key properties of 3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide?
3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide has a molecular weight of 406.48 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide is sourced from PubChem (CID 128963249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).