2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide

C20H24N4O2 — CID 90648473

IUPAC2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide
SMILESCC(=O)c1cn(C(C)C(=O)NCCn2cnc(C)c2C)c2ccccc12
InChIInChI=1S/C20H24N4O2/c1-13-14(2)23(12-22-13)10-9-21-20(26)15(3)24-11-18(16(4)25)17-7-5-6-8-19(17)24/h5-8,11-12,15H,9-10H2,1-4H3,(H,21,26)
InChIKeyHLTYCTOSQGJJRV-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.03
Rot. Bonds6

About 2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide

2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide (PubChem CID 90648473) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide
PubChem CID90648473
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide
SMILESCC(=O)c1cn(C(C)C(=O)NCCn2cnc(C)c2C)c2ccccc12
InChIInChI=1S/C20H24N4O2/c1-13-14(2)23(12-22-13)10-9-21-20(26)15(3)24-11-18(16(4)25)17-7-5-6-8-19(17)24/h5-8,11-12,15H,9-10H2,1-4H3,(H,21,26)
InChIKeyHLTYCTOSQGJJRV-UHFFFAOYSA-N
XLogP3.03
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide (CID 90648473) is 2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide is CC(=O)c1cn(C(C)C(=O)NCCn2cnc(C)c2C)c2ccccc12.
What is the InChIKey of 2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide?
The InChIKey is HLTYCTOSQGJJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-14(2)23(12-22-13)10-9-21-20(26)15(3)24-11-18(16(4)25)17-7-5-6-8-19(17)24/h5-8,11-12,15H,9-10H2,1-4H3,(H,21,26).
What are the key properties of 2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide?
2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide has a molecular weight of 352.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 90648473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).