ethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate

C24H25N3O3 — CID 23152739

IUPACethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate
SMILESCCOC(=O)c1ccc2c(C3CCCCC3)c3n(c2n1)CC(=O)Nc1ccccc1-3
InChIInChI=1S/C24H25N3O3/c1-2-30-24(29)19-13-12-17-21(15-8-4-3-5-9-15)22-16-10-6-7-11-18(16)25-20(28)14-27(22)23(17)26-19/h6-7,10-13,15H,2-5,8-9,14H2,1H3,(H,25,28)
InChIKeyFRFFWYBVJBLSGI-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.88
Rot. Bonds3

About ethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate

ethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate (PubChem CID 23152739) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is ethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate.

Molecular Properties

Compound Nameethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate
PubChem CID23152739
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Nameethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate
SMILESCCOC(=O)c1ccc2c(C3CCCCC3)c3n(c2n1)CC(=O)Nc1ccccc1-3
InChIInChI=1S/C24H25N3O3/c1-2-30-24(29)19-13-12-17-21(15-8-4-3-5-9-15)22-16-10-6-7-11-18(16)25-20(28)14-27(22)23(17)26-19/h6-7,10-13,15H,2-5,8-9,14H2,1H3,(H,25,28)
InChIKeyFRFFWYBVJBLSGI-UHFFFAOYSA-N
XLogP4.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-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 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate?
The IUPAC name of ethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate (CID 23152739) is ethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate.
What is the SMILES notation for ethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate?
The canonical SMILES for ethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate is CCOC(=O)c1ccc2c(C3CCCCC3)c3n(c2n1)CC(=O)Nc1ccccc1-3.
What is the InChIKey of ethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate?
The InChIKey is FRFFWYBVJBLSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-30-24(29)19-13-12-17-21(15-8-4-3-5-9-15)22-16-10-6-7-11-18(16)25-20(28)14-27(22)23(17)26-19/h6-7,10-13,15H,2-5,8-9,14H2,1H3,(H,25,28).
What are the key properties of ethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate?
ethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 18-cyclohexyl-9-oxo-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylate is sourced from PubChem (CID 23152739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).