(4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione

C23H35NO7 — CID 16758281

IUPAC(4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
SMILESCO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C
InChIInChI=1S/C23H35NO7/c1-16-8-5-11-21(25)24-13-7-10-18(24)23(27)31-15-20(29-4)17(2)9-6-12-22(26)30-14-19(16)28-3/h5-6,8-9,16-20H,7,10-15H2,1-4H3/b8-5-,9-6-/t16-,17+,18-,19-,20-/m1/s1
InChIKeyHHEXKUYCUJXZBF-AXVLYNTPSA-N
MW437.53 g/mol
LogP2.27
Rot. Bonds2

About (4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione

(4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione (PubChem CID 16758281) has the molecular formula C23H35NO7 and a molecular weight of 437.53 g/mol. Its IUPAC name is (4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione.

Molecular Properties

Compound Name(4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
PubChem CID16758281
Molecular FormulaC23H35NO7
Molecular Weight437.53 g/mol
Exact Mass437.24
IUPAC Name(4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
SMILESCO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C
InChIInChI=1S/C23H35NO7/c1-16-8-5-11-21(25)24-13-7-10-18(24)23(27)31-15-20(29-4)17(2)9-6-12-22(26)30-14-19(16)28-3/h5-6,8-9,16-20H,7,10-15H2,1-4H3/b8-5-,9-6-/t16-,17+,18-,19-,20-/m1/s1
InChIKeyHHEXKUYCUJXZBF-AXVLYNTPSA-N
XLogP2.27
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione with MolForge

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Related Compounds

(4Z,6S,7R,12Z,14R,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
CID 16758248
(4Z,6R,7R,12Z,14R,18R)-7-methoxy-6,14-dimethyl-9,16-dioxa-1-azabicyclo[16.3.0]henicosa-4,12-diene-2,10,17-trione
CID 16758263
(4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
CID 16758277
(4Z,6R,7R,11R,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
CID 16758278
(4Z,6R,7S,12Z,14S,15R,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
CID 16758279
(4Z,6R,7S,11S,15Z,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone
CID 16758282
(4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone
CID 16758305
(4Z,6S,7R,14R,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docos-4-ene-2,10,18-trione
CID 16758329
(3S,8Z,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadec-8-ene-2,6,14-trione
CID 16758335
(3S,8Z,10R,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione
CID 16758336
(3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione
CID 16758337
(3S,8Z,10S,11R,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadec-8-ene-2,6,14-trione
CID 16758338

Frequently Asked Questions

What is the IUPAC name of (4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione?
The IUPAC name of (4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione (CID 16758281) is (4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione.
What is the SMILES notation for (4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione?
The canonical SMILES for (4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione is CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C.
What is the InChIKey of (4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione?
The InChIKey is HHEXKUYCUJXZBF-AXVLYNTPSA-N. The full InChI is InChI=1S/C23H35NO7/c1-16-8-5-11-21(25)24-13-7-10-18(24)23(27)31-15-20(29-4)17(2)9-6-12-22(26)30-14-19(16)28-3/h5-6,8-9,16-20H,7,10-15H2,1-4H3/b8-5-,9-6-/t16-,17+,18-,19-,20-/m1/s1.
What are the key properties of (4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione?
(4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione has a molecular weight of 437.53 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione is sourced from PubChem (CID 16758281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).