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

C19H29NO3 — CID 25145902

IUPAC2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-hexylacetamide
SMILESCCCCCCNC(=O)CC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C19H29NO3/c1-4-5-6-7-10-20-19(21)12-15-9-8-14-11-17(22-2)18(23-3)13-16(14)15/h11,13,15H,4-10,12H2,1-3H3,(H,20,21)
InChIKeyMQOBPXUIELQTND-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.82
Rot. Bonds9

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

2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-hexylacetamide (PubChem CID 25145902) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-hexylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-hexylacetamide
PubChem CID25145902
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-hexylacetamide
SMILESCCCCCCNC(=O)CC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C19H29NO3/c1-4-5-6-7-10-20-19(21)12-15-9-8-14-11-17(22-2)18(23-3)13-16(14)15/h11,13,15H,4-10,12H2,1-3H3,(H,20,21)
InChIKeyMQOBPXUIELQTND-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-hexylacetamide?
The IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-hexylacetamide (CID 25145902) is 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-hexylacetamide.
What is the SMILES notation for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-hexylacetamide?
The canonical SMILES for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-hexylacetamide is CCCCCCNC(=O)CC1CCc2cc(OC)c(OC)cc21.
What is the InChIKey of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-hexylacetamide?
The InChIKey is MQOBPXUIELQTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-5-6-7-10-20-19(21)12-15-9-8-14-11-17(22-2)18(23-3)13-16(14)15/h11,13,15H,4-10,12H2,1-3H3,(H,20,21).
What are the key properties of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-hexylacetamide?
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-hexylacetamide has a molecular weight of 319.45 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-hexylacetamide is sourced from PubChem (CID 25145902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).