2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide

C23H24N2O2 — CID 46988459

IUPAC2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide
SMILESCCCN(CC#Cc1ccccc1)C(=O)CC1C(=O)Nc2cc(C)ccc21
InChIInChI=1S/C23H24N2O2/c1-3-13-25(14-7-10-18-8-5-4-6-9-18)22(26)16-20-19-12-11-17(2)15-21(19)24-23(20)27/h4-6,8-9,11-12,15,20H,3,13-14,16H2,1-2H3,(H,24,27)
InChIKeyKMVZCJUXPULKDV-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.71
Rot. Bonds5

About 2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide

2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide (PubChem CID 46988459) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide
PubChem CID46988459
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide
SMILESCCCN(CC#Cc1ccccc1)C(=O)CC1C(=O)Nc2cc(C)ccc21
InChIInChI=1S/C23H24N2O2/c1-3-13-25(14-7-10-18-8-5-4-6-9-18)22(26)16-20-19-12-11-17(2)15-21(19)24-23(20)27/h4-6,8-9,11-12,15,20H,3,13-14,16H2,1-2H3,(H,24,27)
InChIKeyKMVZCJUXPULKDV-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide?
The IUPAC name of 2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide (CID 46988459) is 2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide.
What is the SMILES notation for 2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide?
The canonical SMILES for 2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide is CCCN(CC#Cc1ccccc1)C(=O)CC1C(=O)Nc2cc(C)ccc21.
What is the InChIKey of 2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide?
The InChIKey is KMVZCJUXPULKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-3-13-25(14-7-10-18-8-5-4-6-9-18)22(26)16-20-19-12-11-17(2)15-21(19)24-23(20)27/h4-6,8-9,11-12,15,20H,3,13-14,16H2,1-2H3,(H,24,27).
What are the key properties of 2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide?
2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide has a molecular weight of 360.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide is sourced from PubChem (CID 46988459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).