3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide

C24H33N3O3 — CID 91209516

IUPAC3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide
SMILESCCOC(CC(N)=O)n1ccc2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)ccc21
InChIInChI=1S/C24H33N3O3/c1-5-30-21(11-20(25)28)26-9-8-16-10-17(6-7-19(16)26)22(29)27-15-24(4)13-18(27)12-23(2,3)14-24/h6-10,18,21H,5,11-15H2,1-4H3,(H2,25,28)
InChIKeyXOTBOMORRDCDKM-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.09
Rot. Bonds6

About 3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide

3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide (PubChem CID 91209516) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide.

Molecular Properties

Compound Name3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide
PubChem CID91209516
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide
SMILESCCOC(CC(N)=O)n1ccc2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)ccc21
InChIInChI=1S/C24H33N3O3/c1-5-30-21(11-20(25)28)26-9-8-16-10-17(6-7-19(16)26)22(29)27-15-24(4)13-18(27)12-23(2,3)14-24/h6-10,18,21H,5,11-15H2,1-4H3,(H2,25,28)
InChIKeyXOTBOMORRDCDKM-UHFFFAOYSA-N
XLogP4.09
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide?
The IUPAC name of 3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide (CID 91209516) is 3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide.
What is the SMILES notation for 3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide?
The canonical SMILES for 3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide is CCOC(CC(N)=O)n1ccc2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)ccc21.
What is the InChIKey of 3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide?
The InChIKey is XOTBOMORRDCDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-5-30-21(11-20(25)28)26-9-8-16-10-17(6-7-19(16)26)22(29)27-15-24(4)13-18(27)12-23(2,3)14-24/h6-10,18,21H,5,11-15H2,1-4H3,(H2,25,28).
What are the key properties of 3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide?
3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide has a molecular weight of 411.55 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)indol-1-yl]propanamide is sourced from PubChem (CID 91209516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).