N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide

C21H24N2O2 — CID 108953265

IUPACN-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCCc1cccc(CC)c1NC(=O)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C21H24N2O2/c1-3-15-9-7-10-16(4-2)21(15)22-19(24)14-20(25)23-13-12-17-8-5-6-11-18(17)23/h5-11H,3-4,12-14H2,1-2H3,(H,22,24)
InChIKeyVQYVLDJHIKYOEQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.73
Rot. Bonds5

About N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide

N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide (PubChem CID 108953265) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
PubChem CID108953265
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCCc1cccc(CC)c1NC(=O)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C21H24N2O2/c1-3-15-9-7-10-16(4-2)21(15)22-19(24)14-20(25)23-13-12-17-8-5-6-11-18(17)23/h5-11H,3-4,12-14H2,1-2H3,(H,22,24)
InChIKeyVQYVLDJHIKYOEQ-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-diethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991191
1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone
CID 54819245
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one
CID 109034727
3-(2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108945426
N-(2-ethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6468642
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108953302
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide
CID 67615557
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953344
N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953400

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide (CID 108953265) is N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide is CCc1cccc(CC)c1NC(=O)CC(=O)N1CCc2ccccc21.
What is the InChIKey of N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide?
The InChIKey is VQYVLDJHIKYOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-15-9-7-10-16(4-2)21(15)22-19(24)14-20(25)23-13-12-17-8-5-6-11-18(17)23/h5-11H,3-4,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide?
N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide has a molecular weight of 336.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108953265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).