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

C23H35NO7 — CID 6419584

IUPAC(4E,6R,7S,12E,14R,15S,19S)-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-PQYFICAXSA-N
MW437.53 g/mol
LogP2.27
Rot. Bonds2

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

(4E,6R,7S,12E,14R,15S,19S)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione (PubChem CID 6419584) has the molecular formula C23H35NO7 and a molecular weight of 437.53 g/mol. Its IUPAC name is (4E,6R,7S,12E,14R,15S,19S)-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(4E,6R,7S,12E,14R,15S,19S)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
PubChem CID6419584
Molecular FormulaC23H35NO7
Molecular Weight437.53 g/mol
Exact Mass437.24
IUPAC Name(4E,6R,7S,12E,14R,15S,19S)-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-PQYFICAXSA-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 (4E,6R,7S,12E,14R,15S,19S)-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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Frequently Asked Questions

What is the IUPAC name of (4E,6R,7S,12E,14R,15S,19S)-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 (4E,6R,7S,12E,14R,15S,19S)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione (CID 6419584) is (4E,6R,7S,12E,14R,15S,19S)-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 (4E,6R,7S,12E,14R,15S,19S)-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 (4E,6R,7S,12E,14R,15S,19S)-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 (4E,6R,7S,12E,14R,15S,19S)-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-PQYFICAXSA-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 (4E,6R,7S,12E,14R,15S,19S)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione?
(4E,6R,7S,12E,14R,15S,19S)-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 (4E,6R,7S,12E,14R,15S,19S)-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 6419584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).