7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane

C22H27NO5 — CID 66773041

IUPAC7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane
SMILESCOC1OC2(COCc3ccccc3)CON(C)C1C2OCc1ccccc1
InChIInChI=1S/C22H27NO5/c1-23-19-20(26-14-18-11-7-4-8-12-18)22(16-27-23,28-21(19)24-2)15-25-13-17-9-5-3-6-10-17/h3-12,19-21H,13-16H2,1-2H3
InChIKeyDPSDAXIYOGDCNZ-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.78
Rot. Bonds8

About 7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane

7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane (PubChem CID 66773041) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane
PubChem CID66773041
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane
SMILESCOC1OC2(COCc3ccccc3)CON(C)C1C2OCc1ccccc1
InChIInChI=1S/C22H27NO5/c1-23-19-20(26-14-18-11-7-4-8-12-18)22(16-27-23,28-21(19)24-2)15-25-13-17-9-5-3-6-10-17/h3-12,19-21H,13-16H2,1-2H3
InChIKeyDPSDAXIYOGDCNZ-UHFFFAOYSA-N
XLogP2.78
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

(3S,4R,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxyoxazinan-5-ol
CID 12156056
(1R,2S,3R,4R,5R)-4-azido-2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octane
CID 14213909
(2S,3S,4S,5S)-2-(3,3-dimethoxypropyl)-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 46188977
(2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine
CID 134865967
(3S,4R,5S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxyoxazinan-5-ol
CID 135013774
(3R,4S,5S)-2-benzyl-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxyoxazinan-5-ol
CID 135013872
(3R,4S,5S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxyoxazinan-5-ol
CID 135013873
(3R)-3-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methyl-1,2-oxazolidine
CID 139205952
Niosh/JH7595000
CID 145453232
Niosh/JH7605000
CID 145453283
(3aR,6S,7R,7aS)-1-methyl-7-phenylmethoxy-6-(phenylmethoxymethyl)-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole
CID 10642841
4-[(2R,4aR,6S,7S,8R,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine
CID 10646814

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane?
The IUPAC name of 7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane (CID 66773041) is 7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane.
What is the SMILES notation for 7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane?
The canonical SMILES for 7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane is COC1OC2(COCc3ccccc3)CON(C)C1C2OCc1ccccc1.
What is the InChIKey of 7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane?
The InChIKey is DPSDAXIYOGDCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-23-19-20(26-14-18-11-7-4-8-12-18)22(16-27-23,28-21(19)24-2)15-25-13-17-9-5-3-6-10-17/h3-12,19-21H,13-16H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane?
7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane has a molecular weight of 385.46 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-8-phenylmethoxy-5-(phenylmethoxymethyl)-3,6-dioxa-2-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66773041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).