2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate

C17H23N3O2 — CID 67887760

IUPAC2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
SMILESCN1C2CCC1CC(NC(=O)ON1CCc3ccccc31)C2
InChIInChI=1S/C17H23N3O2/c1-19-14-6-7-15(19)11-13(10-14)18-17(21)22-20-9-8-12-4-2-3-5-16(12)20/h2-5,13-15H,6-11H2,1H3,(H,18,21)
InChIKeyITQYUBDFFLMMLJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.32
Rot. Bonds2

About 2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate

2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate (PubChem CID 67887760) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
PubChem CID67887760
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
SMILESCN1C2CCC1CC(NC(=O)ON1CCc3ccccc31)C2
InChIInChI=1S/C17H23N3O2/c1-19-14-6-7-15(19)11-13(10-14)18-17(21)22-20-9-8-12-4-2-3-5-16(12)20/h2-5,13-15H,6-11H2,1H3,(H,18,21)
InChIKeyITQYUBDFFLMMLJ-UHFFFAOYSA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide
CID 14809231
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 2802758
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide
CID 67845558
2-(2-fluorophenyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 11888542
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide
CID 11859507
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 67915994
(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 9432046
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide
CID 90644699
3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide
CID 54290724

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate?
The IUPAC name of 2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate (CID 67887760) is 2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate.
What is the SMILES notation for 2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate?
The canonical SMILES for 2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate is CN1C2CCC1CC(NC(=O)ON1CCc3ccccc31)C2.
What is the InChIKey of 2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate?
The InChIKey is ITQYUBDFFLMMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-14-6-7-15(19)11-13(10-14)18-17(21)22-20-9-8-12-4-2-3-5-16(12)20/h2-5,13-15H,6-11H2,1H3,(H,18,21).
What are the key properties of 2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate?
2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate has a molecular weight of 301.39 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate is sourced from PubChem (CID 67887760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).