2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide

C18H23N5O — CID 91830303

IUPAC2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide
SMILESCC(C)CC(NC(=O)Cn1ccc2ccccc21)c1ncnn1C
InChIInChI=1S/C18H23N5O/c1-13(2)10-15(18-19-12-20-22(18)3)21-17(24)11-23-9-8-14-6-4-5-7-16(14)23/h4-9,12-13,15H,10-11H2,1-3H3,(H,21,24)
InChIKeyBBUHLIGYJHBFMI-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.67
Rot. Bonds6

About 2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide

2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide (PubChem CID 91830303) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide
PubChem CID91830303
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide
SMILESCC(C)CC(NC(=O)Cn1ccc2ccccc21)c1ncnn1C
InChIInChI=1S/C18H23N5O/c1-13(2)10-15(18-19-12-20-22(18)3)21-17(24)11-23-9-8-14-6-4-5-7-16(14)23/h4-9,12-13,15H,10-11H2,1-3H3,(H,21,24)
InChIKeyBBUHLIGYJHBFMI-UHFFFAOYSA-N
XLogP2.67
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide (CID 91830303) is 2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide is CC(C)CC(NC(=O)Cn1ccc2ccccc21)c1ncnn1C.
What is the InChIKey of 2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide?
The InChIKey is BBUHLIGYJHBFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13(2)10-15(18-19-12-20-22(18)3)21-17(24)11-23-9-8-14-6-4-5-7-16(14)23/h4-9,12-13,15H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide?
2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide has a molecular weight of 325.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide is sourced from PubChem (CID 91830303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).