N-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide

C27H34N2O — CID 10895457

IUPACN-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide
SMILESCCC(=O)N(CC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1Cc2ccccc2C1
InChIInChI=1S/C27H34N2O/c1-2-27(30)29(26-16-22-10-6-7-11-23(22)17-26)19-21-14-24-12-13-25(15-21)28(24)18-20-8-4-3-5-9-20/h3-11,21,24-26H,2,12-19H2,1H3/t21?,24-,25+
InChIKeyGSWLRVPEBYOMQK-UYPFPJBKSA-N
MW402.58 g/mol
LogP4.84
Rot. Bonds6

About N-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide

N-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide (PubChem CID 10895457) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is N-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide.

Molecular Properties

Compound NameN-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide
PubChem CID10895457
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC NameN-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide
SMILESCCC(=O)N(CC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1Cc2ccccc2C1
InChIInChI=1S/C27H34N2O/c1-2-27(30)29(26-16-22-10-6-7-11-23(22)17-26)19-21-14-24-12-13-25(15-21)28(24)18-20-8-4-3-5-9-20/h3-11,21,24-26H,2,12-19H2,1H3/t21?,24-,25+
InChIKeyGSWLRVPEBYOMQK-UYPFPJBKSA-N
XLogP4.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide?
The IUPAC name of N-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide (CID 10895457) is N-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide.
What is the SMILES notation for N-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide?
The canonical SMILES for N-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide is CCC(=O)N(CC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1Cc2ccccc2C1.
What is the InChIKey of N-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide?
The InChIKey is GSWLRVPEBYOMQK-UYPFPJBKSA-N. The full InChI is InChI=1S/C27H34N2O/c1-2-27(30)29(26-16-22-10-6-7-11-23(22)17-26)19-21-14-24-12-13-25(15-21)28(24)18-20-8-4-3-5-9-20/h3-11,21,24-26H,2,12-19H2,1H3/t21?,24-,25+.
What are the key properties of N-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide?
N-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide has a molecular weight of 402.58 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide is sourced from PubChem (CID 10895457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).