2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide

C18H18N2O2 — CID 108522344

IUPAC2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide
SMILESCCc1ccc(NC(=O)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H18N2O2/c1-2-13-7-9-15(10-8-13)19-17(21)18(22)20-12-11-14-5-3-4-6-16(14)20/h3-10H,2,11-12H2,1H3,(H,19,21)
InChIKeyNEFOJQPBCTZRSO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.78
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide

2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide (PubChem CID 108522344) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide
PubChem CID108522344
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide
SMILESCCc1ccc(NC(=O)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H18N2O2/c1-2-13-7-9-15(10-8-13)19-17(21)18(22)20-12-11-14-5-3-4-6-16(14)20/h3-10H,2,11-12H2,1H3,(H,19,21)
InChIKeyNEFOJQPBCTZRSO-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108521834
2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502677
2-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)-2-oxoacetamide
CID 108523162
1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one
CID 109034726
2-(2,3-dihydroindol-1-yl)-N-(3-fluorophenyl)-2-oxoacetamide
CID 108531920
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-2-oxoacetamide
CID 108505707
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108530542
2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(4-phenoxyphenyl)acetamide
CID 108505566
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 7179130
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)guanidine
CID 111079047
N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108508973

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide (CID 108522344) is 2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide is CCc1ccc(NC(=O)C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide?
The InChIKey is NEFOJQPBCTZRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-13-7-9-15(10-8-13)19-17(21)18(22)20-12-11-14-5-3-4-6-16(14)20/h3-10H,2,11-12H2,1H3,(H,19,21).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide?
2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide has a molecular weight of 294.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide is sourced from PubChem (CID 108522344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).