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

C22H26N2O3 — CID 155516095

IUPAC(4-methoxyphenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate
SMILESCOc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1
InChIInChI=1S/C22H26N2O3/c1-26-20-9-7-17(8-10-20)16-27-22(25)24(19-5-3-2-4-6-19)21-15-23-13-11-18(21)12-14-23/h2-10,18,21H,11-16H2,1H3
InChIKeyGEULRCAVYVOGLC-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.93
Rot. Bonds5

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

(4-methoxyphenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate (PubChem CID 155516095) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate
PubChem CID155516095
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(4-methoxyphenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate
SMILESCOc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1
InChIInChI=1S/C22H26N2O3/c1-26-20-9-7-17(8-10-20)16-27-22(25)24(19-5-3-2-4-6-19)21-15-23-13-11-18(21)12-14-23/h2-10,18,21H,11-16H2,1H3
InChIKeyGEULRCAVYVOGLC-UHFFFAOYSA-N
XLogP3.93
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate (CID 155516095) is (4-methoxyphenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate is COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate?
The InChIKey is GEULRCAVYVOGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-20-9-7-17(8-10-20)16-27-22(25)24(19-5-3-2-4-6-19)21-15-23-13-11-18(21)12-14-23/h2-10,18,21H,11-16H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate?
(4-methoxyphenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate has a molecular weight of 366.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate is sourced from PubChem (CID 155516095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).