ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate

C19H23NO5 — CID 23252482

About ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate

ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate (PubChem CID 23252482) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate.

Molecular Properties

• Compound Name: ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate
• PubChem CID: 23252482
• Molecular Formula: C19H23NO5
• Molecular Weight: 345.40 g/mol
• Exact Mass: 345.16
• IUPAC Name: ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate
• SMILES: CCOC(=O)N1CC[C@@]23CCC(=O)C[C@@H]2Oc2c(OC)ccc(c23)C1
• InChI: InChI=1S/C19H23NO5/c1-3-24-18(22)20-9-8-19-7-6-13(21)10-15(19)25-17-14(23-2)5-4-12(11-20)16(17)19/h4-5,15H,3,6-11H2,1-2H3/t15-,19-/m0/s1
• InChIKey: QDTJCRNJSZMVPX-KXBFYZLASA-N
• XLogP: 2.81
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.40
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate?

The IUPAC name of ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate (CID 23252482) is ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate.

What is the SMILES notation for ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate?

The canonical SMILES for ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate is CCOC(=O)N1CC[C@@]23CCC(=O)C[C@@H]2Oc2c(OC)ccc(c23)C1.

What is the InChIKey of ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate?

The InChIKey is QDTJCRNJSZMVPX-KXBFYZLASA-N. The full InChI is InChI=1S/C19H23NO5/c1-3-24-18(22)20-9-8-19-7-6-13(21)10-15(19)25-17-14(23-2)5-4-12(11-20)16(17)19/h4-5,15H,3,6-11H2,1-2H3/t15-,19-/m0/s1.

What are the key properties of ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate?

ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (1R,12S)-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-4-carboxylate is sourced from PubChem (CID 23252482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).