2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide

C18H20N4O2 — CID 7080799

IUPAC2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide
SMILESCc1c(C(=O)C(=O)NCCCn2ccnc2)c2ccccc2n1C
InChIInChI=1S/C18H20N4O2/c1-13-16(14-6-3-4-7-15(14)21(13)2)17(23)18(24)20-8-5-10-22-11-9-19-12-22/h3-4,6-7,9,11-12H,5,8,10H2,1-2H3,(H,20,24)
InChIKeyKVGQZDAUDRACJH-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.07
Rot. Bonds6

About 2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide

2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide (PubChem CID 7080799) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide
PubChem CID7080799
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide
SMILESCc1c(C(=O)C(=O)NCCCn2ccnc2)c2ccccc2n1C
InChIInChI=1S/C18H20N4O2/c1-13-16(14-6-3-4-7-15(14)21(13)2)17(23)18(24)20-8-5-10-22-11-9-19-12-22/h3-4,6-7,9,11-12H,5,8,10H2,1-2H3,(H,20,24)
InChIKeyKVGQZDAUDRACJH-UHFFFAOYSA-N
XLogP2.07
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide (CID 7080799) is 2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide is Cc1c(C(=O)C(=O)NCCCn2ccnc2)c2ccccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide?
The InChIKey is KVGQZDAUDRACJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-16(14-6-3-4-7-15(14)21(13)2)17(23)18(24)20-8-5-10-22-11-9-19-12-22/h3-4,6-7,9,11-12H,5,8,10H2,1-2H3,(H,20,24).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide?
2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide has a molecular weight of 324.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide is sourced from PubChem (CID 7080799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).