2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide

C19H28N2O — CID 143839171

IUPAC2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide
SMILESCCCCc1c(CC)c2cc(C)ccc2n1CC(=O)NCC
InChIInChI=1S/C19H28N2O/c1-5-8-9-17-15(6-2)16-12-14(4)10-11-18(16)21(17)13-19(22)20-7-3/h10-12H,5-9,13H2,1-4H3,(H,20,22)
InChIKeyAFYQYRLKULXXGS-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.99
Rot. Bonds7

About 2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide

2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide (PubChem CID 143839171) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide
PubChem CID143839171
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide
SMILESCCCCc1c(CC)c2cc(C)ccc2n1CC(=O)NCC
InChIInChI=1S/C19H28N2O/c1-5-8-9-17-15(6-2)16-12-14(4)10-11-18(16)21(17)13-19(22)20-7-3/h10-12H,5-9,13H2,1-4H3,(H,20,22)
InChIKeyAFYQYRLKULXXGS-UHFFFAOYSA-N
XLogP3.99
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide (CID 143839171) is 2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide is CCCCc1c(CC)c2cc(C)ccc2n1CC(=O)NCC.
What is the InChIKey of 2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide?
The InChIKey is AFYQYRLKULXXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-5-8-9-17-15(6-2)16-12-14(4)10-11-18(16)21(17)13-19(22)20-7-3/h10-12H,5-9,13H2,1-4H3,(H,20,22).
What are the key properties of 2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide?
2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide has a molecular weight of 300.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide is sourced from PubChem (CID 143839171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).