N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide

C15H20N2O2 — CID 18165330

IUPACN-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCc2ccccc21)C(C)C
InChIInChI=1S/C15H20N2O2/c1-10(2)14(16-11(3)18)15(19)17-9-8-12-6-4-5-7-13(12)17/h4-7,10,14H,8-9H2,1-3H3,(H,16,18)
InChIKeyYLGMIZAVGDFZRW-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.74
Rot. Bonds3

About N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide

N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide (PubChem CID 18165330) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide
PubChem CID18165330
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCc2ccccc21)C(C)C
InChIInChI=1S/C15H20N2O2/c1-10(2)14(16-11(3)18)15(19)17-9-8-12-6-4-5-7-13(12)17/h4-7,10,14H,8-9H2,1-3H3,(H,16,18)
InChIKeyYLGMIZAVGDFZRW-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide (CID 18165330) is N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCc2ccccc21)C(C)C.
What is the InChIKey of N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The InChIKey is YLGMIZAVGDFZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)14(16-11(3)18)15(19)17-9-8-12-6-4-5-7-13(12)17/h4-7,10,14H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 18165330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).