2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone

C22H32N2O5 — CID 131943183

IUPAC2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCOc1cc(CN2C[C@H]3CC[C@@H](C2)C3OC)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C22H32N2O5/c1-26-20-11-16(12-23-13-17-4-5-18(14-23)22(17)27-2)3-6-19(20)29-15-21(25)24-7-9-28-10-8-24/h3,6,11,17-18,22H,4-5,7-10,12-15H2,1-2H3/t17-,18+,22?
InChIKeySKHDBUWTLLPDBF-VSOVRNOCSA-N
MW404.51 g/mol
LogP1.79
Rot. Bonds7

About 2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone

2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 131943183) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID131943183
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Name2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCOc1cc(CN2C[C@H]3CC[C@@H](C2)C3OC)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C22H32N2O5/c1-26-20-11-16(12-23-13-17-4-5-18(14-23)22(17)27-2)3-6-19(20)29-15-21(25)24-7-9-28-10-8-24/h3,6,11,17-18,22H,4-5,7-10,12-15H2,1-2H3/t17-,18+,22?
InChIKeySKHDBUWTLLPDBF-VSOVRNOCSA-N
XLogP1.79
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone 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

2-[2-methoxy-4-[(3-pyridin-2-ylazetidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131905909
2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131938428
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131923008
6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 131948166
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 119123900
N-(1-benzylpiperidin-4-yl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4847857
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
1-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]propan-2-ol
CID 175642732
1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide
CID 4850069

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone (CID 131943183) is 2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone is COc1cc(CN2C[C@H]3CC[C@@H](C2)C3OC)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is SKHDBUWTLLPDBF-VSOVRNOCSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-26-20-11-16(12-23-13-17-4-5-18(14-23)22(17)27-2)3-6-19(20)29-15-21(25)24-7-9-28-10-8-24/h3,6,11,17-18,22H,4-5,7-10,12-15H2,1-2H3/t17-,18+,22?.
What are the key properties of 2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone?
2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 404.51 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 131943183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).