(1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol

C18H25NO3 — CID 147763261

IUPAC(1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol
SMILESCCN(C)[C@H]1Cc2ccc(OC)c3c2C2C1CC[C@H](O)[C@H]2O3
InChIInChI=1S/C18H25NO3/c1-4-19(2)12-9-10-5-8-14(21-3)18-15(10)16-11(12)6-7-13(20)17(16)22-18/h5,8,11-13,16-17,20H,4,6-7,9H2,1-3H3/t11?,12-,13-,16?,17+/m0/s1
InChIKeyHEMMRTKIEDAWNE-VRJNADHRSA-N
MW303.40 g/mol
LogP2.19
Rot. Bonds3

About (1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol

(1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol (PubChem CID 147763261) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol.

Molecular Properties

Compound Name(1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol
PubChem CID147763261
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol
SMILESCCN(C)[C@H]1Cc2ccc(OC)c3c2C2C1CC[C@H](O)[C@H]2O3
InChIInChI=1S/C18H25NO3/c1-4-19(2)12-9-10-5-8-14(21-3)18-15(10)16-11(12)6-7-13(20)17(16)22-18/h5,8,11-13,16-17,20H,4,6-7,9H2,1-3H3/t11?,12-,13-,16?,17+/m0/s1
InChIKeyHEMMRTKIEDAWNE-VRJNADHRSA-N
XLogP2.19
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol?
The IUPAC name of (1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol (CID 147763261) is (1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol.
What is the SMILES notation for (1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol?
The canonical SMILES for (1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol is CCN(C)[C@H]1Cc2ccc(OC)c3c2C2C1CC[C@H](O)[C@H]2O3.
What is the InChIKey of (1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol?
The InChIKey is HEMMRTKIEDAWNE-VRJNADHRSA-N. The full InChI is InChI=1S/C18H25NO3/c1-4-19(2)12-9-10-5-8-14(21-3)18-15(10)16-11(12)6-7-13(20)17(16)22-18/h5,8,11-13,16-17,20H,4,6-7,9H2,1-3H3/t11?,12-,13-,16?,17+/m0/s1.
What are the key properties of (1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol?
(1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol has a molecular weight of 303.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol is sourced from PubChem (CID 147763261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).