ethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate

C18H20N2O4 — CID 14401285

IUPACethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate
SMILESCCOC(=O)Cc1nc2cc3c4c(c2oc1=O)CCCN4CCC3
InChIInChI=1S/C18H20N2O4/c1-2-23-15(21)10-14-18(22)24-17-12-6-4-8-20-7-3-5-11(16(12)20)9-13(17)19-14/h9H,2-8,10H2,1H3
InChIKeyOGTDEVJIOSKVDM-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.99
Rot. Bonds3

About ethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate

ethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate (PubChem CID 14401285) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate
PubChem CID14401285
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate
SMILESCCOC(=O)Cc1nc2cc3c4c(c2oc1=O)CCCN4CCC3
InChIInChI=1S/C18H20N2O4/c1-2-23-15(21)10-14-18(22)24-17-12-6-4-8-20-7-3-5-11(16(12)20)9-13(17)19-14/h9H,2-8,10H2,1H3
InChIKeyOGTDEVJIOSKVDM-UHFFFAOYSA-N
XLogP1.99
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate?
The IUPAC name of ethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate (CID 14401285) is ethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate.
What is the SMILES notation for ethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate?
The canonical SMILES for ethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate is CCOC(=O)Cc1nc2cc3c4c(c2oc1=O)CCCN4CCC3.
What is the InChIKey of ethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate?
The InChIKey is OGTDEVJIOSKVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-23-15(21)10-14-18(22)24-17-12-6-4-8-20-7-3-5-11(16(12)20)9-13(17)19-14/h9H,2-8,10H2,1H3.
What are the key properties of ethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate?
ethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate has a molecular weight of 328.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-oxo-3-oxa-6,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate is sourced from PubChem (CID 14401285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).