12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene

C18H26N2O2 — CID 171590883

IUPAC12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene
SMILESCC(C)(C)OCC12CCCN1C1c3cccnc3OCC1C2
InChIInChI=1S/C18H26N2O2/c1-17(2,3)22-12-18-7-5-9-20(18)15-13(10-18)11-21-16-14(15)6-4-8-19-16/h4,6,8,13,15H,5,7,9-12H2,1-3H3
InChIKeyHVQNEOZHBMVRAH-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.18
Rot. Bonds2

About 12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene

12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene (PubChem CID 171590883) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene.

Molecular Properties

Compound Name12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene
PubChem CID171590883
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene
SMILESCC(C)(C)OCC12CCCN1C1c3cccnc3OCC1C2
InChIInChI=1S/C18H26N2O2/c1-17(2,3)22-12-18-7-5-9-20(18)15-13(10-18)11-21-16-14(15)6-4-8-19-16/h4,6,8,13,15H,5,7,9-12H2,1-3H3
InChIKeyHVQNEOZHBMVRAH-UHFFFAOYSA-N
XLogP3.18
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene
CID 171590917
(1S,10R,12S)-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene-12-carboxylic acid
CID 174234470
(2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 175570904
(3R,8S)-3-(3,3-dimethylbutyl)-8-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 176734725
2,3-dihydrofuro[2,3-b]pyridin-3-yl hydrogen carbonate
CID 118588931
[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate
CID 118588745
tert-butyl spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylate
CID 178078018
(3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine
CID 155184138
3,3-dimethyl-1-[1-[[(3R,8R)-8-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]triazol-4-yl]butan-2-one
CID 169289864
tert-butyl (1R,6R,8R)-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene-6-carboxylate
CID 170564992
(3S,8S)-3-[[3-(1-fluoroethyl)-2-pyridinyl]oxymethyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 170367520
tert-butyl 3-oxospiro[furo[2,3-b]pyridine-2,4'-piperidine]-1'-carboxylate
CID 142434085

Frequently Asked Questions

What is the IUPAC name of 12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene?
The IUPAC name of 12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene (CID 171590883) is 12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene.
What is the SMILES notation for 12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene?
The canonical SMILES for 12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene is CC(C)(C)OCC12CCCN1C1c3cccnc3OCC1C2.
What is the InChIKey of 12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene?
The InChIKey is HVQNEOZHBMVRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-17(2,3)22-12-18-7-5-9-20(18)15-13(10-18)11-21-16-14(15)6-4-8-19-16/h4,6,8,13,15H,5,7,9-12H2,1-3H3.
What are the key properties of 12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene?
12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene has a molecular weight of 302.42 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene is sourced from PubChem (CID 171590883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).