4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene

C16H24N2O3 — CID 146510472

IUPAC4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
SMILESCOCCOC1CC2COc3c(C(C)C)ccnc3N2C1
InChIInChI=1S/C16H24N2O3/c1-11(2)14-4-5-17-16-15(14)21-10-12-8-13(9-18(12)16)20-7-6-19-3/h4-5,11-13H,6-10H2,1-3H3
InChIKeyRQYIVKXBVOSXLU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.21
Rot. Bonds5

About 4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene

4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene (PubChem CID 146510472) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
PubChem CID146510472
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
SMILESCOCCOC1CC2COc3c(C(C)C)ccnc3N2C1
InChIInChI=1S/C16H24N2O3/c1-11(2)14-4-5-17-16-15(14)21-10-12-8-13(9-18(12)16)20-7-6-19-3/h4-5,11-13H,6-10H2,1-3H3
InChIKeyRQYIVKXBVOSXLU-UHFFFAOYSA-N
XLogP2.21
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene with MolForge

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Related Compounds

(4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 146510454
10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 146477407
4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 146477744
(4S,6S)-10-iodo-4-(methoxymethyl)-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 146448260
(4S,6S)-4-(methoxymethoxymethyl)-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 146510576
(6R)-10-iodo-4-(methoxymethoxymethyl)-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 146472707
4-ethyl-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;4-isocyano-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;4-(oxetan-3-yloxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;4-(oxolan-3-yloxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;6-propan-2-yl-8-oxa-12λ6-thia-1,3-diazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene 12,12-dioxide;10-propan-2-yl-4-propoxy-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;10-propan-2-yl-4-pyrazol-1-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 161373866
(4R)-10-ethyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-4-ol
CID 146477550
[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-[[(4S,6S)-4-propoxy-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-10-yl]sulfanyl]pyrazin-2-yl]methanol
CID 159833189
(4S,6S)-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene-4-carbonitrile
CID 146510522
(4S,6S)-10-(5-chloropyrazin-2-yl)sulfanyl-4-(methoxymethoxymethyl)-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;(4S,6S)-10-iodo-4-(methoxymethoxymethyl)-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 161353089
(7R,8aS)-7-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97386232

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
The IUPAC name of 4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene (CID 146510472) is 4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene.
What is the SMILES notation for 4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
The canonical SMILES for 4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene is COCCOC1CC2COc3c(C(C)C)ccnc3N2C1.
What is the InChIKey of 4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
The InChIKey is RQYIVKXBVOSXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)14-4-5-17-16-15(14)21-10-12-8-13(9-18(12)16)20-7-6-19-3/h4-5,11-13H,6-10H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene has a molecular weight of 292.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene is sourced from PubChem (CID 146510472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).