(5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene

C18H21NO2 — CID 71546454

IUPAC(5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene
SMILESCOc1ccc2c3c1O[C@H]1CCCC4(C=C2)N(C)CC[C@]314
InChIInChI=1S/C18H21NO2/c1-19-11-10-18-14-4-3-8-17(18,19)9-7-12-5-6-13(20-2)16(21-14)15(12)18/h5-7,9,14H,3-4,8,10-11H2,1-2H3/t14-,17?,18+/m0/s1
InChIKeyYPSSROKFUPHWGV-HXFVUSARSA-N
MW283.37 g/mol
LogP2.98
Rot. Bonds1

About (5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene

(5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene (PubChem CID 71546454) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene.

Molecular Properties

Compound Name(5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene
PubChem CID71546454
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene
SMILESCOc1ccc2c3c1O[C@H]1CCCC4(C=C2)N(C)CC[C@]314
InChIInChI=1S/C18H21NO2/c1-19-11-10-18-14-4-3-8-17(18,19)9-7-12-5-6-13(20-2)16(21-14)15(12)18/h5-7,9,14H,3-4,8,10-11H2,1-2H3/t14-,17?,18+/m0/s1
InChIKeyYPSSROKFUPHWGV-HXFVUSARSA-N
XLogP2.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene
CID 624559
(5S,13R)-8-methoxy-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraen-15-one
CID 71546387
(4aR,7aR,12bR)-3-(cyclopropylmethyl)-9-methoxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
CID 146648848
9-methoxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
CID 626987
(4R,4aS,7aS,12bS)-9-methoxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
CID 22295938
(1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol
CID 134525959
(1S,12S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-one;trifluoroborane
CID 15981308
(4S,4aS,7aR,12bR)-9-methoxy-3-prop-2-enyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 134526209
(4R,4aR,7aS,12bS)-9-methoxy-3-(trideuteriomethyl)-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 169437794
(5S,12R)-9-methoxy-4,5-dimethyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 146028083
(1S,5S,14R)-5-amino-9-methoxy-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 163916605
(5R,13R,17S)-10,17-dimethoxy-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-one
CID 163418907

Frequently Asked Questions

What is the IUPAC name of (5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene?
The IUPAC name of (5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene (CID 71546454) is (5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene.
What is the SMILES notation for (5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene?
The canonical SMILES for (5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene is COc1ccc2c3c1O[C@H]1CCCC4(C=C2)N(C)CC[C@]314.
What is the InChIKey of (5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene?
The InChIKey is YPSSROKFUPHWGV-HXFVUSARSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19-11-10-18-14-4-3-8-17(18,19)9-7-12-5-6-13(20-2)16(21-14)15(12)18/h5-7,9,14H,3-4,8,10-11H2,1-2H3/t14-,17?,18+/m0/s1.
What are the key properties of (5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene?
(5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene has a molecular weight of 283.37 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene is sourced from PubChem (CID 71546454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).