(1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene

C19H23NO — CID 122225312

IUPAC(1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
SMILESCC[C@H]1C[C@@H]2C[C@H]3c4oc5ccccc5c4CCN(C2)[C@@H]13
InChIInChI=1S/C19H23NO/c1-2-13-9-12-10-16-18(13)20(11-12)8-7-15-14-5-3-4-6-17(14)21-19(15)16/h3-6,12-13,16,18H,2,7-11H2,1H3/t12-,13+,16-,18+/m1/s1
InChIKeyFVSRZNOUTAWCOD-RGFKIIKPSA-N
MW281.40 g/mol
LogP4.19
Rot. Bonds1

About (1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene

(1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene (PubChem CID 122225312) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene.

Molecular Properties

Compound Name(1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
PubChem CID122225312
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
SMILESCC[C@H]1C[C@@H]2C[C@H]3c4oc5ccccc5c4CCN(C2)[C@@H]13
InChIInChI=1S/C19H23NO/c1-2-13-9-12-10-16-18(13)20(11-12)8-7-15-14-5-3-4-6-17(14)21-19(15)16/h3-6,12-13,16,18H,2,7-11H2,1H3/t12-,13+,16-,18+/m1/s1
InChIKeyFVSRZNOUTAWCOD-RGFKIIKPSA-N
XLogP4.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene with MolForge

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Related Compounds

(1R,15S)-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 171470294
(1R,15S,17S)-7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
CID 169319952
17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol
CID 162901586
17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-amine
CID 172506215
(1R,15S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 70800104
(1R,15S,17S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 69029446
(1R,15S,17S)-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
CID 172506149
7-methoxy-13,18-dimethyl-17-phenyl-11-oxa-1-azatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraene
CID 170229443
(1R,15S,17S)-17-ethyl-7-isocyano-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
CID 172506249
17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 161189837
17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),7-trien-7-ol
CID 163634394
(17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-yl) N-benzylcarbamate
CID 71482777

Frequently Asked Questions

What is the IUPAC name of (1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene?
The IUPAC name of (1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene (CID 122225312) is (1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene.
What is the SMILES notation for (1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene?
The canonical SMILES for (1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene is CC[C@H]1C[C@@H]2C[C@H]3c4oc5ccccc5c4CCN(C2)[C@@H]13.
What is the InChIKey of (1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene?
The InChIKey is FVSRZNOUTAWCOD-RGFKIIKPSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-13-9-12-10-16-18(13)20(11-12)8-7-15-14-5-3-4-6-17(14)21-19(15)16/h3-6,12-13,16,18H,2,7-11H2,1H3/t12-,13+,16-,18+/m1/s1.
What are the key properties of (1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene?
(1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene has a molecular weight of 281.40 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,15R,17S,18S)-17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene is sourced from PubChem (CID 122225312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).