N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide

C23H32N4O2 — CID 130191199

IUPACN-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide
SMILESCC(C)(C)NC(=O)CN1[C@@H]2CC[C@H]1CC(CNC(=O)c1c[nH]c3ccccc13)C2
InChIInChI=1S/C23H32N4O2/c1-23(2,3)26-21(28)14-27-16-8-9-17(27)11-15(10-16)12-25-22(29)19-13-24-20-7-5-4-6-18(19)20/h4-7,13,15-17,24H,8-12,14H2,1-3H3,(H,25,29)(H,26,28)/t15?,16-,17+
InChIKeyYYOAKOYTXSPZID-ALOPSCKCSA-N
MW396.54 g/mol
LogP3.06
Rot. Bonds5

About N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide

N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide (PubChem CID 130191199) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide
PubChem CID130191199
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide
SMILESCC(C)(C)NC(=O)CN1[C@@H]2CC[C@H]1CC(CNC(=O)c1c[nH]c3ccccc13)C2
InChIInChI=1S/C23H32N4O2/c1-23(2,3)26-21(28)14-27-16-8-9-17(27)11-15(10-16)12-25-22(29)19-13-24-20-7-5-4-6-18(19)20/h4-7,13,15-17,24H,8-12,14H2,1-3H3,(H,25,29)(H,26,28)/t15?,16-,17+
InChIKeyYYOAKOYTXSPZID-ALOPSCKCSA-N
XLogP3.06
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide with MolForge

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Related Compounds

N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-ethyl-2-methylindole-3-carboxamide
CID 126736618
N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
CID 61381158
N-[(3-hydroxycyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103280554
N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 126736579
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide
CID 115665104
[8-(1,1-dideuterioethyl)-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 89080474
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide
CID 65110571
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide
CID 11696157

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide (CID 130191199) is N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide is CC(C)(C)NC(=O)CN1[C@@H]2CC[C@H]1CC(CNC(=O)c1c[nH]c3ccccc13)C2.
What is the InChIKey of N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide?
The InChIKey is YYOAKOYTXSPZID-ALOPSCKCSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-23(2,3)26-21(28)14-27-16-8-9-17(27)11-15(10-16)12-25-22(29)19-13-24-20-7-5-4-6-18(19)20/h4-7,13,15-17,24H,8-12,14H2,1-3H3,(H,25,29)(H,26,28)/t15?,16-,17+.
What are the key properties of N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide?
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 130191199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).