About (1S,2R,5S,6S,14R)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,5S,6S,14S)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,6S,14R)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14R)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine
(1S,2R,5S,6S,14R)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,5S,6S,14S)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,6S,14R)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14R)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine (PubChem CID 158430248) has the molecular formula C174H208N12O8
and a molecular weight of 2595.65 g/mol. Its IUPAC name is (1S,2R,5S,6S,14R)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,5S,6S,14S)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,6S,14R)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14R)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine.
Frequently Asked Questions
What is the IUPAC name of (1S,2R,5S,6S,14R)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,5S,6S,14S)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,6S,14R)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14R)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine?
The IUPAC name of (1S,2R,5S,6S,14R)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,5S,6S,14S)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,6S,14R)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14R)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine (CID 158430248) is (1S,2R,5S,6S,14R)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,5S,6S,14S)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,6S,14R)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14R)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine.
What is the SMILES notation for (1S,2R,5S,6S,14R)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,5S,6S,14S)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,6S,14R)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14R)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine?
The canonical SMILES for (1S,2R,5S,6S,14R)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,5S,6S,14S)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,6S,14R)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14R)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine is CN(C)[C@@H]1CCC2=CC3=CC[C@]4(C)C(c5ccc6cc[nH]c6c5)=CC[C@H]4[C@@]34CCC2(C1)O4.CN(C)[C@@H]1CCC2=CC3=CC[C@]4(C)C(c5ccc6cnccc6c5)=CC[C@H]4[C@@]34CCC2(C1)O4.CN(C)[C@@H]1CCC2=CC3=CC[C@]4(C)[C@@H](C(=O)Nc5ccccc5)CC[C@H]4[C@@]34CCC2(C1)O4.CN(C)[C@H]1CCC2=CC3=CC[C@]4(C)C(c5ccc6cc[nH]c6c5)=CC[C@H]4[C@@]34CCC2(C1)O4.CN(C)[C@H]1CCC2=CC3=CC[C@]4(C)C(c5ccc6cnccc6c5)=CC[C@H]4[C@@]34CCC2(C1)O4.CN(C)[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H](C(=O)Nc5ccccc5)CC[C@H]4[C@@]34CCC2(C1)O4.
What is the InChIKey of (1S,2R,5S,6S,14R)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,5S,6S,14S)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,6S,14R)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14R)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine?
The InChIKey is HBOKCXLYFMOPAG-AHZZKGDUSA-N. The full InChI is InChI=1S/2C30H34N2O.2C29H34N2O.2C28H36N2O2/c2*1-28-12-10-24-17-23-6-7-25(32(2)3)18-29(23)13-14-30(24,33-29)27(28)9-8-26(28)21-4-5-22-19-31-15-11-20(22)16-21;2*1-27-12-10-22-17-21-6-7-23(31(2)3)18-28(21)13-14-29(22,32-28)26(27)9-8-24(27)20-5-4-19-11-15-30-25(19)16-20;2*1-26-14-13-20-17-19-9-10-22(30(2)3)18-27(19)15-16-28(20,32-27)24(26)12-11-23(26)25(31)29-21-7-5-4-6-8-21/h2*4-5,8,10-11,15-17,19,25,27H,6-7,9,12-14,18H2,1-3H3;2*4-5,8,10-11,15-17,23,26,30H,6-7,9,12-14,18H2,1-3H3;2*4-8,13,17,22-24H,9-12,14-16,18H2,1-3H3,(H,29,31)/t25-,27+,28+,29?,30+;25-,27-,28-,29?,30-;23-,26+,27+,28?,29+;23-,26-,27-,28?,29-;22-,23+,24+,26+,27?,28+;22-,23-,24-,26-,27?,28-/m010101/s1.
What are the key properties of (1S,2R,5S,6S,14R)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,5S,6S,14S)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,6S,14R)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14R)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine?
(1S,2R,5S,6S,14R)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,5S,6S,14S)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,6S,14R)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14R)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine has a molecular weight of 2595.65 g/mol, XLogP of 35.79, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,6S,14R)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,5S,6S,14S)-14-(dimethylamino)-6-methyl-N-phenyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-5-carboxamide;(1S,2R,6S,14R)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-(1H-indol-6-yl)-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14R)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine;(1S,2R,6S,14S)-5-isoquinolin-6-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-trien-14-amine is sourced from PubChem (CID 158430248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).