(3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene

C18H27NO — CID 155392745

IUPAC(3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene
SMILESCOc1ccc2c(c1)CCCCC[C@H]1CCCN[C@H]1C2
InChIInChI=1S/C18H27NO/c1-20-17-10-9-16-13-18-14(8-5-11-19-18)6-3-2-4-7-15(16)12-17/h9-10,12,14,18-19H,2-8,11,13H2,1H3/t14-,18-/m0/s1
InChIKeyYTUZXPLFXJEBNE-KSSFIOAISA-N
MW273.42 g/mol
LogP3.72
Rot. Bonds1

About (3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene

(3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene (PubChem CID 155392745) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene.

Molecular Properties

Compound Name(3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene
PubChem CID155392745
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene
SMILESCOc1ccc2c(c1)CCCCC[C@H]1CCCN[C@H]1C2
InChIInChI=1S/C18H27NO/c1-20-17-10-9-16-13-18-14(8-5-11-19-18)6-3-2-4-7-15(16)12-17/h9-10,12,14,18-19H,2-8,11,13H2,1H3/t14-,18-/m0/s1
InChIKeyYTUZXPLFXJEBNE-KSSFIOAISA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene with MolForge

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Related Compounds

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CID 102678805
(4aS,7aS)-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678980
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CID 70268151
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CID 54031293
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Frequently Asked Questions

What is the IUPAC name of (3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene?
The IUPAC name of (3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene (CID 155392745) is (3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene.
What is the SMILES notation for (3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene?
The canonical SMILES for (3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene is COc1ccc2c(c1)CCCCC[C@H]1CCCN[C@H]1C2.
What is the InChIKey of (3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene?
The InChIKey is YTUZXPLFXJEBNE-KSSFIOAISA-N. The full InChI is InChI=1S/C18H27NO/c1-20-17-10-9-16-13-18-14(8-5-11-19-18)6-3-2-4-7-15(16)12-17/h9-10,12,14,18-19H,2-8,11,13H2,1H3/t14-,18-/m0/s1.
What are the key properties of (3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene?
(3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene has a molecular weight of 273.42 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene is sourced from PubChem (CID 155392745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).