8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate

C22H26N2O3 — CID 90693327

IUPAC8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate
SMILESCOc1ccccc1-c1ccccc1NC(=O)OCC1CC2CCC(C1)N2
InChIInChI=1S/C22H26N2O3/c1-26-21-9-5-3-7-19(21)18-6-2-4-8-20(18)24-22(25)27-14-15-12-16-10-11-17(13-15)23-16/h2-9,15-17,23H,10-14H2,1H3,(H,24,25)
InChIKeyQXABIABIONNQDC-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.44
Rot. Bonds5

About 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate

8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate (PubChem CID 90693327) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate
PubChem CID90693327
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate
SMILESCOc1ccccc1-c1ccccc1NC(=O)OCC1CC2CCC(C1)N2
InChIInChI=1S/C22H26N2O3/c1-26-21-9-5-3-7-19(21)18-6-2-4-8-20(18)24-22(25)27-14-15-12-16-10-11-17(13-15)23-16/h2-9,15-17,23H,10-14H2,1H3,(H,24,25)
InChIKeyQXABIABIONNQDC-UHFFFAOYSA-N
XLogP4.44
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-[2-(4-phenylphenyl)phenyl]carbamate
CID 69311024
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate
CID 11260212
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate
CID 90851842
8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate
CID 11394093
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate
CID 91189456
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732606
8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate
CID 11573985
piperidin-2-ylmethyl N-(2-methoxyphenyl)carbamate
CID 79337607
9H-fluoren-9-ylmethyl N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171951138
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 119730495
9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate
CID 171951173
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119674276

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate (CID 90693327) is 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate is COc1ccccc1-c1ccccc1NC(=O)OCC1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate?
The InChIKey is QXABIABIONNQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-21-9-5-3-7-19(21)18-6-2-4-8-20(18)24-22(25)27-14-15-12-16-10-11-17(13-15)23-16/h2-9,15-17,23H,10-14H2,1H3,(H,24,25).
What are the key properties of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate?
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate is sourced from PubChem (CID 90693327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).