N-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide

C18H20N2O — CID 4988789

IUPACN-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide
SMILESCC1c2ccccc2N(NC(=O)Cc2ccccc2)C1C
InChIInChI=1S/C18H20N2O/c1-13-14(2)20(17-11-7-6-10-16(13)17)19-18(21)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,19,21)
InChIKeyWSUOATOSPAHMLQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.27
Rot. Bonds3

About N-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide

N-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide (PubChem CID 4988789) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide
PubChem CID4988789
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide
SMILESCC1c2ccccc2N(NC(=O)Cc2ccccc2)C1C
InChIInChI=1S/C18H20N2O/c1-13-14(2)20(17-11-7-6-10-16(13)17)19-18(21)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,19,21)
InChIKeyWSUOATOSPAHMLQ-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide?
The IUPAC name of N-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide (CID 4988789) is N-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide?
The canonical SMILES for N-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide is CC1c2ccccc2N(NC(=O)Cc2ccccc2)C1C.
What is the InChIKey of N-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide?
The InChIKey is WSUOATOSPAHMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-14(2)20(17-11-7-6-10-16(13)17)19-18(21)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide?
N-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide has a molecular weight of 280.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-2,3-dihydroindol-1-yl)-2-phenylacetamide is sourced from PubChem (CID 4988789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).