1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone

C28H37NO5 — CID 155987783

IUPAC1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone
SMILESCC(C)(O)[C@H]1CC[C@](C)([C@H]2CC3(CCN(C(=O)COc4ccc5ccccc5c4)CC3)CO2)O1
InChIInChI=1S/C28H37NO5/c1-26(2,31)23-10-11-27(3,34-23)24-17-28(19-33-24)12-14-29(15-13-28)25(30)18-32-22-9-8-20-6-4-5-7-21(20)16-22/h4-9,16,23-24,31H,10-15,17-19H2,1-3H3/t23-,24-,27-/m1/s1
InChIKeyACISIQAHWCPGHK-FKCDAAJZSA-N
MW467.61 g/mol
LogP4.32
Rot. Bonds5

About 1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone

1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 155987783) has the molecular formula C28H37NO5 and a molecular weight of 467.61 g/mol. Its IUPAC name is 1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone
PubChem CID155987783
Molecular FormulaC28H37NO5
Molecular Weight467.61 g/mol
Exact Mass467.27
IUPAC Name1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone
SMILESCC(C)(O)[C@H]1CC[C@](C)([C@H]2CC3(CCN(C(=O)COc4ccc5ccccc5c4)CC3)CO2)O1
InChIInChI=1S/C28H37NO5/c1-26(2,31)23-10-11-27(3,34-23)24-17-28(19-33-24)12-14-29(15-13-28)25(30)18-32-22-9-8-20-6-4-5-7-21(20)16-22/h4-9,16,23-24,31H,10-15,17-19H2,1-3H3/t23-,24-,27-/m1/s1
InChIKeyACISIQAHWCPGHK-FKCDAAJZSA-N
XLogP4.32
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone 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

[(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
CID 175655804
[(3R)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 110142919
[(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110143015
1-[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenoxyethanone
CID 97418240
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-yloxyethanone
CID 90510476
2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131651656
1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone
CID 167777037
1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone
CID 97418153
1-[3-[[(3S,4R)-3-hydroxy-4-methylpiperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone
CID 131678801
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 21008002
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone (CID 155987783) is 1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone is CC(C)(O)[C@H]1CC[C@](C)([C@H]2CC3(CCN(C(=O)COc4ccc5ccccc5c4)CC3)CO2)O1.
What is the InChIKey of 1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is ACISIQAHWCPGHK-FKCDAAJZSA-N. The full InChI is InChI=1S/C28H37NO5/c1-26(2,31)23-10-11-27(3,34-23)24-17-28(19-33-24)12-14-29(15-13-28)25(30)18-32-22-9-8-20-6-4-5-7-21(20)16-22/h4-9,16,23-24,31H,10-15,17-19H2,1-3H3/t23-,24-,27-/m1/s1.
What are the key properties of 1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone?
1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 467.61 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 155987783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).