N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide

C23H28N2O2 — CID 98109975

IUPACN-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)cc1
InChIInChI=1S/C23H28N2O2/c1-2-27-22-12-8-18(9-13-22)23(26)24-19-14-20-10-11-21(15-19)25(20)16-17-6-4-3-5-7-17/h3-9,12-13,19-21H,2,10-11,14-16H2,1H3,(H,24,26)/t20-,21-/m1/s1
InChIKeyJCSMQIDIYGKAQF-NHCUHLMSSA-N
MW364.49 g/mol
LogP4.01
Rot. Bonds6

About N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide

N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide (PubChem CID 98109975) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide
PubChem CID98109975
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)cc1
InChIInChI=1S/C23H28N2O2/c1-2-27-22-12-8-18(9-13-22)23(26)24-19-14-20-10-11-21(15-19)25(20)16-17-6-4-3-5-7-17/h3-9,12-13,19-21H,2,10-11,14-16H2,1H3,(H,24,26)/t20-,21-/m1/s1
InChIKeyJCSMQIDIYGKAQF-NHCUHLMSSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide with MolForge

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Related Compounds

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide
CID 54577620
4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461516
N-[(1S,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3,4-dimethoxybenzamide
CID 1461856
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 3217171
4-methoxy-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467032
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxybenzamide;hydrochloride
CID 3059281
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide
CID 3059383
N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide
CID 7223858
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide?
The IUPAC name of N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide (CID 98109975) is N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)cc1.
What is the InChIKey of N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide?
The InChIKey is JCSMQIDIYGKAQF-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-27-22-12-8-18(9-13-22)23(26)24-19-14-20-10-11-21(15-19)25(20)16-17-6-4-3-5-7-17/h3-9,12-13,19-21H,2,10-11,14-16H2,1H3,(H,24,26)/t20-,21-/m1/s1.
What are the key properties of N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide?
N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide has a molecular weight of 364.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide is sourced from PubChem (CID 98109975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).