(5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane

C19H29NO3 — CID 124980177

IUPAC(5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
SMILESCCOc1ccccc1CN1CCC2(CC1)OCCC[C@H]2OC
InChIInChI=1S/C19H29NO3/c1-3-22-17-8-5-4-7-16(17)15-20-12-10-19(11-13-20)18(21-2)9-6-14-23-19/h4-5,7-8,18H,3,6,9-15H2,1-2H3/t18-/m1/s1
InChIKeyMGUBIETZPCDYFH-GOSISDBHSA-N
MW319.44 g/mol
LogP3.25
Rot. Bonds5

About (5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane

(5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 124980177) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is (5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
PubChem CID124980177
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name(5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
SMILESCCOc1ccccc1CN1CCC2(CC1)OCCC[C@H]2OC
InChIInChI=1S/C19H29NO3/c1-3-22-17-8-5-4-7-16(17)15-20-12-10-19(11-13-20)18(21-2)9-6-14-23-19/h4-5,7-8,18H,3,6,9-15H2,1-2H3/t18-/m1/s1
InChIKeyMGUBIETZPCDYFH-GOSISDBHSA-N
XLogP3.25
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane 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

9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 110156323
1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]azepane;hydrochloride
CID 163326473
1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107408415
(5S)-5-methoxy-9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane
CID 124998126
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
(5S)-9-[(2,6-dimethoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 125011061
(3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72880822
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127805
1-[(2-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163328027
[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780821
(3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 72852998

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of (5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane (CID 124980177) is (5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for (5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for (5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane is CCOc1ccccc1CN1CCC2(CC1)OCCC[C@H]2OC.
What is the InChIKey of (5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is MGUBIETZPCDYFH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29NO3/c1-3-22-17-8-5-4-7-16(17)15-20-12-10-19(11-13-20)18(21-2)9-6-14-23-19/h4-5,7-8,18H,3,6,9-15H2,1-2H3/t18-/m1/s1.
What are the key properties of (5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane?
(5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 319.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 124980177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).