N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide

C24H28N2O5 — CID 121240337

IUPACN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)NC3CCc4cc(OC)c(OC)cc43)cccc21
InChIInChI=1S/C24H28N2O5/c1-28-12-11-26-10-9-17-20(26)5-4-6-21(17)31-15-24(27)25-19-8-7-16-13-22(29-2)23(30-3)14-18(16)19/h4-6,9-10,13-14,19H,7-8,11-12,15H2,1-3H3,(H,25,27)
InChIKeyKFYXGFNFONFUEC-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.49
Rot. Bonds9

About N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide (PubChem CID 121240337) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
PubChem CID121240337
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)NC3CCc4cc(OC)c(OC)cc43)cccc21
InChIInChI=1S/C24H28N2O5/c1-28-12-11-26-10-9-17-20(26)5-4-6-21(17)31-15-24(27)25-19-8-7-16-13-22(29-2)23(30-3)14-18(16)19/h4-6,9-10,13-14,19H,7-8,11-12,15H2,1-3H3,(H,25,27)
InChIKeyKFYXGFNFONFUEC-UHFFFAOYSA-N
XLogP3.49
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide (CID 121240337) is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide.
What is the SMILES notation for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The canonical SMILES for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide is COCCn1ccc2c(OCC(=O)NC3CCc4cc(OC)c(OC)cc43)cccc21.
What is the InChIKey of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The InChIKey is KFYXGFNFONFUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-28-12-11-26-10-9-17-20(26)5-4-6-21(17)31-15-24(27)25-19-8-7-16-13-22(29-2)23(30-3)14-18(16)19/h4-6,9-10,13-14,19H,7-8,11-12,15H2,1-3H3,(H,25,27).
What are the key properties of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide has a molecular weight of 424.50 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide is sourced from PubChem (CID 121240337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).