2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide

C18H28N2O2 — CID 86659886

IUPAC2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1CN(C)c2ccc(OC)cc21
InChIInChI=1S/C18H28N2O2/c1-5-9-20(10-6-2)18(21)11-14-13-19(3)17-8-7-15(22-4)12-16(14)17/h7-8,12,14H,5-6,9-11,13H2,1-4H3
InChIKeyFGESNUPVHFHSLD-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.27
Rot. Bonds7

About 2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide

2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide (PubChem CID 86659886) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide
PubChem CID86659886
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1CN(C)c2ccc(OC)cc21
InChIInChI=1S/C18H28N2O2/c1-5-9-20(10-6-2)18(21)11-14-13-19(3)17-8-7-15(22-4)12-16(14)17/h7-8,12,14H,5-6,9-11,13H2,1-4H3
InChIKeyFGESNUPVHFHSLD-UHFFFAOYSA-N
XLogP3.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide (CID 86659886) is 2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)CC1CN(C)c2ccc(OC)cc21.
What is the InChIKey of 2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide?
The InChIKey is FGESNUPVHFHSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-9-20(10-6-2)18(21)11-14-13-19(3)17-8-7-15(22-4)12-16(14)17/h7-8,12,14H,5-6,9-11,13H2,1-4H3.
What are the key properties of 2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide?
2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide has a molecular weight of 304.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 86659886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).