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

C21H24N2O2 — CID 108502510

IUPACN-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCCCCc1ccc(NC(=O)C(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C21H24N2O2/c1-3-4-7-16-10-12-18(13-11-16)22-20(24)21(25)23-15(2)14-17-8-5-6-9-19(17)23/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,22,24)
InChIKeyPRKXPIRPZVBXIV-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.95
Rot. Bonds4

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

N-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 108502510) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID108502510
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCCCCc1ccc(NC(=O)C(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C21H24N2O2/c1-3-4-7-16-10-12-18(13-11-16)22-20(24)21(25)23-15(2)14-17-8-5-6-9-19(17)23/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,22,24)
InChIKeyPRKXPIRPZVBXIV-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.95
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

N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514504
N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514855
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108513998
2-(azepan-1-yl)-N-(4-butylphenyl)-2-oxoacetamide
CID 108502414
N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 47333098
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-phenylpropylsulfanyl)ethanone
CID 5149446
2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 108526271
N-(2,4-dichlorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108502910
N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108985287
2-methyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991651
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 108502510) is N-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is CCCCc1ccc(NC(=O)C(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is PRKXPIRPZVBXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-4-7-16-10-12-18(13-11-16)22-20(24)21(25)23-15(2)14-17-8-5-6-9-19(17)23/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,22,24).
What are the key properties of N-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 336.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108502510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).