ethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate

C17H19NO4 — CID 11162409

IUPACethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate
SMILESCCOC(=O)c1c2n(c3ccccc13)C[C@H]1OC(C)(C)O[C@@H]21
InChIInChI=1S/C17H19NO4/c1-4-20-16(19)13-10-7-5-6-8-11(10)18-9-12-15(14(13)18)22-17(2,3)21-12/h5-8,12,15H,4,9H2,1-3H3/t12-,15-/m1/s1
InChIKeyLMWKIYGKTRHBLV-IUODEOHRSA-N
MW301.34 g/mol
LogP3.02
Rot. Bonds2

About ethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate

ethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate (PubChem CID 11162409) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is ethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate.

Molecular Properties

Compound Nameethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate
PubChem CID11162409
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Nameethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate
SMILESCCOC(=O)c1c2n(c3ccccc13)C[C@H]1OC(C)(C)O[C@@H]21
InChIInChI=1S/C17H19NO4/c1-4-20-16(19)13-10-7-5-6-8-11(10)18-9-12-15(14(13)18)22-17(2,3)21-12/h5-8,12,15H,4,9H2,1-3H3/t12-,15-/m1/s1
InChIKeyLMWKIYGKTRHBLV-IUODEOHRSA-N
XLogP3.02
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-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 (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate?
The IUPAC name of ethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate (CID 11162409) is ethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate.
What is the SMILES notation for ethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate?
The canonical SMILES for ethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate is CCOC(=O)c1c2n(c3ccccc13)C[C@H]1OC(C)(C)O[C@@H]21.
What is the InChIKey of ethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate?
The InChIKey is LMWKIYGKTRHBLV-IUODEOHRSA-N. The full InChI is InChI=1S/C17H19NO4/c1-4-20-16(19)13-10-7-5-6-8-11(10)18-9-12-15(14(13)18)22-17(2,3)21-12/h5-8,12,15H,4,9H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of ethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate?
ethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-8-carboxylate is sourced from PubChem (CID 11162409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).