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

C26H38N4O3 — CID 126736792

IUPACN-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NCC1C[C@H]3CC[C@@H](C1)N3CC(=O)NC(C)(C)C)c(C)n2C
InChIInChI=1S/C26H38N4O3/c1-16-24(21-13-20(33-6)9-10-22(21)29(16)5)25(32)27-14-17-11-18-7-8-19(12-17)30(18)15-23(31)28-26(2,3)4/h9-10,13,17-19H,7-8,11-12,14-15H2,1-6H3,(H,27,32)(H,28,31)/t17?,18-,19+
InChIKeyGLHQHOLTJILNNE-YQQQUEKLSA-N
MW454.62 g/mol
LogP3.38
Rot. Bonds6

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

N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide (PubChem CID 126736792) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide
PubChem CID126736792
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC NameN-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NCC1C[C@H]3CC[C@@H](C1)N3CC(=O)NC(C)(C)C)c(C)n2C
InChIInChI=1S/C26H38N4O3/c1-16-24(21-13-20(33-6)9-10-22(21)29(16)5)25(32)27-14-17-11-18-7-8-19(12-17)30(18)15-23(31)28-26(2,3)4/h9-10,13,17-19H,7-8,11-12,14-15H2,1-6H3,(H,27,32)(H,28,31)/t17?,18-,19+
InChIKeyGLHQHOLTJILNNE-YQQQUEKLSA-N
XLogP3.38
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid
CID 126736650
2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 96679476
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide
CID 130191199
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide
CID 130191196
methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate
CID 118669142
N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide
CID 24804939
1-cyclohexyl-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide
CID 110878033
N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide
CID 91791830
6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide
CID 20767927
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide
CID 130191226
1-cyclopropyl-5-methoxy-2-methyl-N-(5-methylhexan-2-yl)indole-3-carboxamide
CID 17429408

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]-5-methoxy-1,2-dimethylindole-3-carboxamide?
The IUPAC name of N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide (CID 126736792) is N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methoxy-1,2-dimethylindole-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]-5-methoxy-1,2-dimethylindole-3-carboxamide?
The canonical SMILES for N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)NCC1C[C@H]3CC[C@@H](C1)N3CC(=O)NC(C)(C)C)c(C)n2C.
What is the InChIKey of N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide?
The InChIKey is GLHQHOLTJILNNE-YQQQUEKLSA-N. The full InChI is InChI=1S/C26H38N4O3/c1-16-24(21-13-20(33-6)9-10-22(21)29(16)5)25(32)27-14-17-11-18-7-8-19(12-17)30(18)15-23(31)28-26(2,3)4/h9-10,13,17-19H,7-8,11-12,14-15H2,1-6H3,(H,27,32)(H,28,31)/t17?,18-,19+.
What are the key properties of N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide?
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide has a molecular weight of 454.62 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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]-5-methoxy-1,2-dimethylindole-3-carboxamide is sourced from PubChem (CID 126736792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).