ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate

C18H17NO5 — CID 132583562

IUPACethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate
SMILESCCOC(=O)C1=C2OCCN2C2Oc3ccc(C)cc3C(=O)C2=C1
InChIInChI=1S/C18H17NO5/c1-3-22-18(21)13-9-12-15(20)11-8-10(2)4-5-14(11)24-17(12)19-6-7-23-16(13)19/h4-5,8-9,17H,3,6-7H2,1-2H3
InChIKeyAKGJHKKMXIBFQW-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.94
Rot. Bonds2

About ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate

ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate (PubChem CID 132583562) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate
PubChem CID132583562
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Nameethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate
SMILESCCOC(=O)C1=C2OCCN2C2Oc3ccc(C)cc3C(=O)C2=C1
InChIInChI=1S/C18H17NO5/c1-3-22-18(21)13-9-12-15(20)11-8-10(2)4-5-14(11)24-17(12)19-6-7-23-16(13)19/h4-5,8-9,17H,3,6-7H2,1-2H3
InChIKeyAKGJHKKMXIBFQW-UHFFFAOYSA-N
XLogP1.94
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate?
The IUPAC name of ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate (CID 132583562) is ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate is CCOC(=O)C1=C2OCCN2C2Oc3ccc(C)cc3C(=O)C2=C1.
What is the InChIKey of ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate?
The InChIKey is AKGJHKKMXIBFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-3-22-18(21)13-9-12-15(20)11-8-10(2)4-5-14(11)24-17(12)19-6-7-23-16(13)19/h4-5,8-9,17H,3,6-7H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate?
ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate is sourced from PubChem (CID 132583562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).