N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide

C17H24N2O2 — CID 113122513

IUPACN-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCc2ccccc21)C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-13(20)19(17(2,3)4)12-10-16(21)18-11-9-14-7-5-6-8-15(14)18/h5-8H,9-12H2,1-4H3
InChIKeyPUZYTNPTCGTNTH-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.61
Rot. Bonds3

About N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide

N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide (PubChem CID 113122513) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
PubChem CID113122513
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCc2ccccc21)C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-13(20)19(17(2,3)4)12-10-16(21)18-11-9-14-7-5-6-8-15(14)18/h5-8H,9-12H2,1-4H3
InChIKeyPUZYTNPTCGTNTH-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
N-cyclopropyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113115408
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113140860
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
N-(2,6-dichlorophenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113134217
3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 34201453
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-methoxyphenyl)acetamide
CID 113128782
1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 55543965
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128955

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide (CID 113122513) is N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCc2ccccc21)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The InChIKey is PUZYTNPTCGTNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(20)19(17(2,3)4)12-10-16(21)18-11-9-14-7-5-6-8-15(14)18/h5-8H,9-12H2,1-4H3.
What are the key properties of N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113122513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).