2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide

C23H28N2O3 — CID 119780926

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide
SMILESCOc1ccccc1Oc1ccc(CNC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C23H28N2O3/c1-27-21-4-2-3-5-22(21)28-20-10-6-16(7-11-20)15-24-23(26)14-17-12-18-8-9-19(13-17)25-18/h2-7,10-11,17-19,25H,8-9,12-15H2,1H3,(H,24,26)
InChIKeyICOHQTWFTOGQQL-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.02
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide (PubChem CID 119780926) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide
PubChem CID119780926
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide
SMILESCOc1ccccc1Oc1ccc(CNC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C23H28N2O3/c1-27-21-4-2-3-5-22(21)28-20-10-6-16(7-11-20)15-24-23(26)14-17-12-18-8-9-19(13-17)25-18/h2-7,10-11,17-19,25H,8-9,12-15H2,1H3,(H,24,26)
InChIKeyICOHQTWFTOGQQL-UHFFFAOYSA-N
XLogP4.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753125
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119756338
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride
CID 119714363
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 119730495
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 119754660
N-[(4-acetamidophenyl)methyl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119700898
4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide
CID 119322066
2-(2-methoxyethylamino)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide
CID 119780942
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide;hydrochloride
CID 119712202
2-(2-methoxyethylamino)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide;hydrochloride
CID 119780941
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]acetamide
CID 119813115
(2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685831

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide (CID 119780926) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide is COc1ccccc1Oc1ccc(CNC(=O)CC2CC3CCC(C2)N3)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide?
The InChIKey is ICOHQTWFTOGQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-21-4-2-3-5-22(21)28-20-10-6-16(7-11-20)15-24-23(26)14-17-12-18-8-9-19(13-17)25-18/h2-7,10-11,17-19,25H,8-9,12-15H2,1H3,(H,24,26).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 119780926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).