(3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone

C19H26N2O4 — CID 137341503

IUPAC(3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone
SMILESCCOc1cc(O)cc(C(=O)N2CCOC3(C[C@H]4CC[C@@H](C3)N4)C2)c1
InChIInChI=1S/C19H26N2O4/c1-2-24-17-8-13(7-16(22)9-17)18(23)21-5-6-25-19(12-21)10-14-3-4-15(11-19)20-14/h7-9,14-15,20,22H,2-6,10-12H2,1H3/t14-,15+,19?
InChIKeyPCADRDLKZJSZHF-RTHVDDQRSA-N
MW346.43 g/mol
LogP1.92
Rot. Bonds3

About (3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone

(3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone (PubChem CID 137341503) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone.

Molecular Properties

Compound Name(3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone
PubChem CID137341503
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone
SMILESCCOc1cc(O)cc(C(=O)N2CCOC3(C[C@H]4CC[C@@H](C3)N4)C2)c1
InChIInChI=1S/C19H26N2O4/c1-2-24-17-8-13(7-16(22)9-17)18(23)21-5-6-25-19(12-21)10-14-3-4-15(11-19)20-14/h7-9,14-15,20,22H,2-6,10-12H2,1H3/t14-,15+,19?
InChIKeyPCADRDLKZJSZHF-RTHVDDQRSA-N
XLogP1.92
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone
CID 138379399
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[(1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone
CID 157017269
3-(3-hydroxy-4-methoxyphenyl)-1-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]propan-1-one
CID 138378909
(3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124801731
[3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 163318255
4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine];hydrochloride
CID 91812264
(3-amino-5-ethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 81089765
(3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81206339
(3aR,7aR)-2-(3-ethoxybenzoyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154810434
(3-amino-5-ethoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092691
(3-amino-5-ethoxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 81094273
[3-(4-oxa-7-azaspiro[2.5]octane-7-carbonyl)quinolin-8-yl]boronic acid
CID 174108504

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone?
The IUPAC name of (3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone (CID 137341503) is (3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone.
What is the SMILES notation for (3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone?
The canonical SMILES for (3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone is CCOc1cc(O)cc(C(=O)N2CCOC3(C[C@H]4CC[C@@H](C3)N4)C2)c1.
What is the InChIKey of (3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone?
The InChIKey is PCADRDLKZJSZHF-RTHVDDQRSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-2-24-17-8-13(7-16(22)9-17)18(23)21-5-6-25-19(12-21)10-14-3-4-15(11-19)20-14/h7-9,14-15,20,22H,2-6,10-12H2,1H3/t14-,15+,19?.
What are the key properties of (3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone?
(3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone is sourced from PubChem (CID 137341503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).