2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide

C19H20N2O2 — CID 54810668

IUPAC2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CN2CCc3ccccc32)cc1
InChIInChI=1S/C19H20N2O2/c1-2-13-23-17-9-7-16(8-10-17)20-19(22)14-21-12-11-15-5-3-4-6-18(15)21/h2-10H,1,11-14H2,(H,20,22)
InChIKeyREKOVLYTRQZMKM-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.25
Rot. Bonds6

About 2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide

2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide (PubChem CID 54810668) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide
PubChem CID54810668
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CN2CCc3ccccc32)cc1
InChIInChI=1S/C19H20N2O2/c1-2-13-23-17-9-7-16(8-10-17)20-19(22)14-21-12-11-15-5-3-4-6-18(15)21/h2-10H,1,11-14H2,(H,20,22)
InChIKeyREKOVLYTRQZMKM-UHFFFAOYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54810870
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4784422
2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54810775
2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109007272
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide
CID 75461838
N-[4-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654347
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817003

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide (CID 54810668) is 2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide is C=CCOc1ccc(NC(=O)CN2CCc3ccccc32)cc1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide?
The InChIKey is REKOVLYTRQZMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-13-23-17-9-7-16(8-10-17)20-19(22)14-21-12-11-15-5-3-4-6-18(15)21/h2-10H,1,11-14H2,(H,20,22).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide?
2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 54810668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).