(5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one

C52H62N2O6 — CID 159241865

IUPAC(5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one
SMILESCOc1cccc(CC[C@@H]2CCc3cc([C@H]4CC[C@]5(COC(=O)N5)C4)ccc3C2)c1.COc1cccc(CC[C@H]2CCc3cc([C@H]4CC[C@]5(COC(=O)N5)C4)ccc3C2)c1
InChIInChI=1S/2C26H31NO3/c2*1-29-24-4-2-3-18(14-24)5-6-19-7-8-21-15-22(10-9-20(21)13-19)23-11-12-26(16-23)17-30-25(28)27-26/h2*2-4,9-10,14-15,19,23H,5-8,11-13,16-17H2,1H3,(H,27,28)/t19-,23+,26-;19-,23-,26+/m10/s1
InChIKeyKUETWIJTJUGFOV-RBSYVCLGSA-N
MW811.08 g/mol
LogP10.36
Rot. Bonds10

About (5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one

(5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one (PubChem CID 159241865) has the molecular formula C52H62N2O6 and a molecular weight of 811.08 g/mol. Its IUPAC name is (5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one
PubChem CID159241865
Molecular FormulaC52H62N2O6
Molecular Weight811.08 g/mol
Exact Mass810.46
IUPAC Name(5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one
SMILESCOc1cccc(CC[C@@H]2CCc3cc([C@H]4CC[C@]5(COC(=O)N5)C4)ccc3C2)c1.COc1cccc(CC[C@H]2CCc3cc([C@H]4CC[C@]5(COC(=O)N5)C4)ccc3C2)c1
InChIInChI=1S/2C26H31NO3/c2*1-29-24-4-2-3-18(14-24)5-6-19-7-8-21-15-22(10-9-20(21)13-19)23-11-12-26(16-23)17-30-25(28)27-26/h2*2-4,9-10,14-15,19,23H,5-8,11-13,16-17H2,1H3,(H,27,28)/t19-,23+,26-;19-,23-,26+/m10/s1
InChIKeyKUETWIJTJUGFOV-RBSYVCLGSA-N
XLogP10.36
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.08
LogP ≤ 510.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one with MolForge

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Related Compounds

(5R,8S)-8-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one
CID 86730048
3-[6-[(5R,8R)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]propanal
CID 118877422
3-[(2S)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]propanal
CID 118877573
[(1R,3S)-1-amino-3-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877404
(5R,8S)-8-[6-(butoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one
CID 126581802
[(1S,3S)-1-amino-3-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
CID 118877557
[6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 118877396
[(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 118877393
(5R,8S)-8-(6-ethynyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one
CID 118877282
[(1R,3S)-1-amino-3-[6-[2-(3-fluoro-5-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 175059938
trans-(1R,3S)-1-ethyl-3-[6-[2-(3-methoxyphenoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine
CID 118899943
(5R,8S)-8-(6-butyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one
CID 118877468

Frequently Asked Questions

What is the IUPAC name of (5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one?
The IUPAC name of (5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one (CID 159241865) is (5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one?
The canonical SMILES for (5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one is COc1cccc(CC[C@@H]2CCc3cc([C@H]4CC[C@]5(COC(=O)N5)C4)ccc3C2)c1.COc1cccc(CC[C@H]2CCc3cc([C@H]4CC[C@]5(COC(=O)N5)C4)ccc3C2)c1.
What is the InChIKey of (5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one?
The InChIKey is KUETWIJTJUGFOV-RBSYVCLGSA-N. The full InChI is InChI=1S/2C26H31NO3/c2*1-29-24-4-2-3-18(14-24)5-6-19-7-8-21-15-22(10-9-20(21)13-19)23-11-12-26(16-23)17-30-25(28)27-26/h2*2-4,9-10,14-15,19,23H,5-8,11-13,16-17H2,1H3,(H,27,28)/t19-,23+,26-;19-,23-,26+/m10/s1.
What are the key properties of (5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one?
(5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one has a molecular weight of 811.08 g/mol, XLogP of 10.36, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-8-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one;(5R,8S)-8-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one is sourced from PubChem (CID 159241865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).