N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide

C15H21N3O2 — CID 2086380

IUPACN-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-15(2,3)17-14(20)16-13(19)10-18-9-8-11-6-4-5-7-12(11)18/h4-7H,8-10H2,1-3H3,(H2,16,17,19,20)
InChIKeyHIJTXZRRYMFKRC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.67
Rot. Bonds2

About N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide

N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide (PubChem CID 2086380) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide
PubChem CID2086380
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-15(2,3)17-14(20)16-13(19)10-18-9-8-11-6-4-5-7-12(11)18/h4-7H,8-10H2,1-3H3,(H2,16,17,19,20)
InChIKeyHIJTXZRRYMFKRC-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide (CID 2086380) is N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide is CC(C)(C)NC(=O)NC(=O)CN1CCc2ccccc21.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide?
The InChIKey is HIJTXZRRYMFKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)17-14(20)16-13(19)10-18-9-8-11-6-4-5-7-12(11)18/h4-7H,8-10H2,1-3H3,(H2,16,17,19,20).
What are the key properties of N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide?
N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 2086380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).