2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate

C23H28N2O3 — CID 155528419

IUPAC2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate
SMILESCOc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1
InChIInChI=1S/C23H28N2O3/c1-27-21-9-7-18(8-10-21)13-16-28-23(26)25(20-5-3-2-4-6-20)22-17-24-14-11-19(22)12-15-24/h2-10,19,22H,11-17H2,1H3
InChIKeyHLFXMJFGYOOILI-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.98
Rot. Bonds6

About 2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate

2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate (PubChem CID 155528419) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate
PubChem CID155528419
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate
SMILESCOc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1
InChIInChI=1S/C23H28N2O3/c1-27-21-9-7-18(8-10-21)13-16-28-23(26)25(20-5-3-2-4-6-20)22-17-24-14-11-19(22)12-15-24/h2-10,19,22H,11-17H2,1H3
InChIKeyHLFXMJFGYOOILI-UHFFFAOYSA-N
XLogP3.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-butyl-N-phenylcarbamate bromide
CID 10164136
[(3R)-1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-benzyl-N-phenylcarbamate bromide
CID 10208971
[(3R)-1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]carbamate bromide
CID 54580864
1-Methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]piperazine
CID 57672016
1-Phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine
CID 10200614
[(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 25120700
[3-[4-(3-Methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67282726
[3-[4-(2-Methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67282756
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(4-methoxyphenyl)propanamide
CID 156782565
Phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3235440
N-(2-(1-benzylpiperidin-4-yl)ethyl)-N-(4-methoxyphenyl)acetamide
CID 9976190
9-Benzyl-9-azabicyclo[3.3.1]nonan-3-yl 2-methoxy-5-methylphenylcarbamate
CID 10046170

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate (CID 155528419) is 2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate is COc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate?
The InChIKey is HLFXMJFGYOOILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-21-9-7-18(8-10-21)13-16-28-23(26)25(20-5-3-2-4-6-20)22-17-24-14-11-19(22)12-15-24/h2-10,19,22H,11-17H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate?
2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate has a molecular weight of 380.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate is sourced from PubChem (CID 155528419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).