(7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

C20H22N2O4 — CID 122693673

IUPAC(7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESCc1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1C(C2)OCC[C@H]1C
InChIInChI=1S/C20H22N2O4/c1-13-10-21-11-16-22(14(2)8-9-25-16)20(24)17(21)19(18(13)23)26-12-15-6-4-3-5-7-15/h3-7,10,14,16H,8-9,11-12H2,1-2H3/t14-,16?/m1/s1
InChIKeyGGMCWGJRVLQZTG-IURRXHLWSA-N
MW354.41 g/mol
LogP2.33
Rot. Bonds3

About (7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

(7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (PubChem CID 122693673) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name(7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
PubChem CID122693673
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESCc1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1C(C2)OCC[C@H]1C
InChIInChI=1S/C20H22N2O4/c1-13-10-21-11-16-22(14(2)8-9-25-16)20(24)17(21)19(18(13)23)26-12-15-6-4-3-5-7-15/h3-7,10,14,16H,8-9,11-12H2,1-2H3/t14-,16?/m1/s1
InChIKeyGGMCWGJRVLQZTG-IURRXHLWSA-N
XLogP2.33
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of (7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (CID 122693673) is (7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.
What is the SMILES notation for (7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for (7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is Cc1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1C(C2)OCC[C@H]1C.
What is the InChIKey of (7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The InChIKey is GGMCWGJRVLQZTG-IURRXHLWSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-10-21-11-16-22(14(2)8-9-25-16)20(24)17(21)19(18(13)23)26-12-15-6-4-3-5-7-15/h3-7,10,14,16H,8-9,11-12H2,1-2H3/t14-,16?/m1/s1.
What are the key properties of (7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
(7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione has a molecular weight of 354.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7,13-dimethyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 122693673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).