(1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione

C26H33NO8 — CID 11027338

IUPAC(1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione
SMILESCO[C@@H]1[C@@H]2OC(=O)N1C(=O)[C@@]13CC[C@@H](C[C@H]1OCCOC(=O)[C@@H]2COCc1ccccc1)C3(C)C
InChIInChI=1S/C26H33NO8/c1-25(2)17-9-10-26(25)19(13-17)33-11-12-34-22(28)18(15-32-14-16-7-5-4-6-8-16)20-21(31-3)27(23(26)29)24(30)35-20/h4-8,17-21H,9-15H2,1-3H3/t17-,18+,19+,20+,21+,26+/m0/s1
InChIKeyWKGKRYQXTNZLQU-PYPDTLBHSA-N
MW487.55 g/mol
LogP2.91
Rot. Bonds5

About (1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione

(1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione (PubChem CID 11027338) has the molecular formula C26H33NO8 and a molecular weight of 487.55 g/mol. Its IUPAC name is (1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione.

Molecular Properties

Compound Name(1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione
PubChem CID11027338
Molecular FormulaC26H33NO8
Molecular Weight487.55 g/mol
Exact Mass487.22
IUPAC Name(1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione
SMILESCO[C@@H]1[C@@H]2OC(=O)N1C(=O)[C@@]13CC[C@@H](C[C@H]1OCCOC(=O)[C@@H]2COCc1ccccc1)C3(C)C
InChIInChI=1S/C26H33NO8/c1-25(2)17-9-10-26(25)19(13-17)33-11-12-34-22(28)18(15-32-14-16-7-5-4-6-8-16)20-21(31-3)27(23(26)29)24(30)35-20/h4-8,17-21H,9-15H2,1-3H3/t17-,18+,19+,20+,21+,26+/m0/s1
InChIKeyWKGKRYQXTNZLQU-PYPDTLBHSA-N
XLogP2.91
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione with MolForge

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Related Compounds

(1R,6R,13S,15S,19R)-7,19-dichloro-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione
CID 6712782
3-(4-Tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one
CID 72961866
(4S)-3-[(2R,3S,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102465061
(4S)-3-[(2R,3S,4S)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102465062
(4S)-3-[(2S,3R,4S)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102465063
(1R,6R,13R,15S,19R)-7,19-dichloro-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione
CID 400066
(1R,6S,13R,15S,19R)-7-chloro-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione
CID 400067
(4R,5R)-4-methoxy-3-[(1S,2R,4R)-2-(2-methoxyethoxy)-7,7-dimethylbicyclo[2.2.1]heptane-1-carbonyl]-5-phenylselanyl-1,3-oxazolidin-2-one
CID 10907174
(4S,5R)-4-methoxy-3-[(1S,2R,4R)-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carbonyl]-5-phenylmethoxy-1,3-oxazolidin-2-one
CID 11258182
(4R,5S)-4-methoxy-3-[(1S,2R,4R)-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carbonyl]-5-phenylmethoxy-1,3-oxazolidin-2-one
CID 11395563
3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one
CID 11438942
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1S,5R,7R)-4-acetyl-3,3-dimethyl-7-phenyl-2,6-dioxa-4-azabicyclo[3.2.0]heptane-7-carboxylate
CID 14041921

Frequently Asked Questions

What is the IUPAC name of (1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione?
The IUPAC name of (1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione (CID 11027338) is (1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione.
What is the SMILES notation for (1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione?
The canonical SMILES for (1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione is CO[C@@H]1[C@@H]2OC(=O)N1C(=O)[C@@]13CC[C@@H](C[C@H]1OCCOC(=O)[C@@H]2COCc1ccccc1)C3(C)C.
What is the InChIKey of (1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione?
The InChIKey is WKGKRYQXTNZLQU-PYPDTLBHSA-N. The full InChI is InChI=1S/C26H33NO8/c1-25(2)17-9-10-26(25)19(13-17)33-11-12-34-22(28)18(15-32-14-16-7-5-4-6-8-16)20-21(31-3)27(23(26)29)24(30)35-20/h4-8,17-21H,9-15H2,1-3H3/t17-,18+,19+,20+,21+,26+/m0/s1.
What are the key properties of (1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione?
(1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione has a molecular weight of 487.55 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7R,13R,15S,19R)-19-methoxy-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione is sourced from PubChem (CID 11027338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).