(1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide

C19H22N2O5 — CID 15975689

IUPAC(1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide
SMILESCOc1ccc2c3c1O[C@H]1[C@]4(C(N)=O)O[C@@H]4C[C@@]4(O)[C@H](C2)N(C)CC[C@]314
InChIInChI=1S/C19H22N2O5/c1-21-6-5-17-13-9-3-4-10(24-2)14(13)25-15(17)19(16(20)22)12(26-19)8-18(17,23)11(21)7-9/h3-4,11-12,15,23H,5-8H2,1-2H3,(H2,20,22)/t11-,12+,15+,17-,18+,19+/m0/s1
InChIKeyZIZJQFQMMDIEBW-QFKLOHCQSA-N
MW358.39 g/mol
LogP-0.29
Rot. Bonds2

About (1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide

(1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide (PubChem CID 15975689) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is (1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide.

Molecular Properties

Compound Name(1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide
PubChem CID15975689
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide
SMILESCOc1ccc2c3c1O[C@H]1[C@]4(C(N)=O)O[C@@H]4C[C@@]4(O)[C@H](C2)N(C)CC[C@]314
InChIInChI=1S/C19H22N2O5/c1-21-6-5-17-13-9-3-4-10(24-2)14(13)25-15(17)19(16(20)22)12(26-19)8-18(17,23)11(21)7-9/h3-4,11-12,15,23H,5-8H2,1-2H3,(H2,20,22)/t11-,12+,15+,17-,18+,19+/m0/s1
InChIKeyZIZJQFQMMDIEBW-QFKLOHCQSA-N
XLogP-0.29
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide 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

(4'R,4'aS,7'aR,12'bS)-9'-methoxy-3'-methylspiro[1,3-dioxolane-2,7'-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline]-4'a-ol
CID 90352740
(12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59885223
(4R)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 147139420
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 68767429
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;methanol
CID 160623586
(4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol;hydrochloride
CID 91758321
[(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-aminopropanoate
CID 122670379
(4R,4aS,12bS)-6,6,7a-trideuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59666388
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;3-aminopropanoic acid
CID 161198004
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 67005067
(2S)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraene-16-carboxylic acid;hydrochloride
CID 166597391
1-[(1R,2S,6R,14R,15S,16S)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]ethanone
CID 13324122

Frequently Asked Questions

What is the IUPAC name of (1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide?
The IUPAC name of (1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide (CID 15975689) is (1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide.
What is the SMILES notation for (1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide?
The canonical SMILES for (1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide is COc1ccc2c3c1O[C@H]1[C@]4(C(N)=O)O[C@@H]4C[C@@]4(O)[C@H](C2)N(C)CC[C@]314.
What is the InChIKey of (1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide?
The InChIKey is ZIZJQFQMMDIEBW-QFKLOHCQSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-21-6-5-17-13-9-3-4-10(24-2)14(13)25-15(17)19(16(20)22)12(26-19)8-18(17,23)11(21)7-9/h3-4,11-12,15,23H,5-8H2,1-2H3,(H2,20,22)/t11-,12+,15+,17-,18+,19+/m0/s1.
What are the key properties of (1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide?
(1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide has a molecular weight of 358.39 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,13R,14R,16R,18S)-18-hydroxy-10-methoxy-4-methyl-12,15-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.014,16]nonadeca-7(19),8,10-triene-14-carboxamide is sourced from PubChem (CID 15975689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).