2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide

C19H28N2O2 — CID 108526271

IUPAC2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC1Cc2ccccc2N1C(=O)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C19H28N2O2/c1-13-11-14-9-7-8-10-15(14)21(13)17(23)16(22)20-19(5,6)12-18(2,3)4/h7-10,13H,11-12H2,1-6H3,(H,20,22)
InChIKeyAETBVALRSUGRRD-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.30
Rot. Bonds2

About 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide

2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 108526271) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID108526271
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC1Cc2ccccc2N1C(=O)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C19H28N2O2/c1-13-11-14-9-7-8-10-15(14)21(13)17(23)16(22)20-19(5,6)12-18(2,3)4/h7-10,13H,11-12H2,1-6H3,(H,20,22)
InChIKeyAETBVALRSUGRRD-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.30
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-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108513998
N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 47333098
N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514855
N-(2,4-dichlorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108502910
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514504
N-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108502510
N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108985287
N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 48845425
2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506767
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 108526271) is 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide is CC1Cc2ccccc2N1C(=O)C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is AETBVALRSUGRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13-11-14-9-7-8-10-15(14)21(13)17(23)16(22)20-19(5,6)12-18(2,3)4/h7-10,13H,11-12H2,1-6H3,(H,20,22).
What are the key properties of 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 316.44 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 108526271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).