(1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone

C26H25NO2 — CID 15255918

IUPAC(1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)N2OC3(C)c4ccccc4C2(C)c2ccccc23)c(C)c1
InChIInChI=1S/C26H25NO2/c1-16-14-17(2)23(18(3)15-16)24(28)27-25(4)19-10-6-8-12-21(19)26(5,29-27)22-13-9-7-11-20(22)25/h6-15H,1-5H3
InChIKeyMTEJBXWKRFXVBS-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.54
Rot. Bonds1

About (1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone

(1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 15255918) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is (1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID15255918
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name(1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)N2OC3(C)c4ccccc4C2(C)c2ccccc23)c(C)c1
InChIInChI=1S/C26H25NO2/c1-16-14-17(2)23(18(3)15-16)24(28)27-25(4)19-10-6-8-12-21(19)26(5,29-27)22-13-9-7-11-20(22)25/h6-15H,1-5H3
InChIKeyMTEJBXWKRFXVBS-UHFFFAOYSA-N
XLogP5.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone 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 (1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone (CID 15255918) is (1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)N2OC3(C)c4ccccc4C2(C)c2ccccc23)c(C)c1.
What is the InChIKey of (1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is MTEJBXWKRFXVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-16-14-17(2)23(18(3)15-16)24(28)27-25(4)19-10-6-8-12-21(19)26(5,29-27)22-13-9-7-11-20(22)25/h6-15H,1-5H3.
What are the key properties of (1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone?
(1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 383.49 g/mol, XLogP of 5.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 15255918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).