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

C19H20N2O4 — CID 76737494

IUPAC7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESCC1CCOC2Cn3ccc(=O)c(OCc4ccccc4)c3C(=O)N12
InChIInChI=1S/C19H20N2O4/c1-13-8-10-24-16-11-20-9-7-15(22)18(17(20)19(23)21(13)16)25-12-14-5-3-2-4-6-14/h2-7,9,13,16H,8,10-12H2,1H3
InChIKeyRKBQZLDTEMFMCE-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.02
Rot. Bonds3

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

7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (PubChem CID 76737494) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
PubChem CID76737494
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESCC1CCOC2Cn3ccc(=O)c(OCc4ccccc4)c3C(=O)N12
InChIInChI=1S/C19H20N2O4/c1-13-8-10-24-16-11-20-9-7-15(22)18(17(20)19(23)21(13)16)25-12-14-5-3-2-4-6-14/h2-7,9,13,16H,8,10-12H2,1H3
InChIKeyRKBQZLDTEMFMCE-UHFFFAOYSA-N
XLogP2.02
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of 7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (CID 76737494) is 7-methyl-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 7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for 7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is CC1CCOC2Cn3ccc(=O)c(OCc4ccccc4)c3C(=O)N12.
What is the InChIKey of 7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The InChIKey is RKBQZLDTEMFMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-8-10-24-16-11-20-9-7-15(22)18(17(20)19(23)21(13)16)25-12-14-5-3-2-4-6-14/h2-7,9,13,16H,8,10-12H2,1H3.
What are the key properties of 7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione has a molecular weight of 340.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 76737494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).