6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione

C26H30N2O2 — CID 75307773

IUPAC6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione
SMILESCC1C=CCC(=O)NC(c2ccccc2)C(C)C=CCC(=O)NC1c1ccccc1
InChIInChI=1S/C26H30N2O2/c1-19-11-9-17-24(30)28-26(22-15-7-4-8-16-22)20(2)12-10-18-23(29)27-25(19)21-13-5-3-6-14-21/h3-16,19-20,25-26H,17-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyNRHNQHSEKZNYCZ-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.88
Rot. Bonds2

About 6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione

6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione (PubChem CID 75307773) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione.

Molecular Properties

Compound Name6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione
PubChem CID75307773
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione
SMILESCC1C=CCC(=O)NC(c2ccccc2)C(C)C=CCC(=O)NC1c1ccccc1
InChIInChI=1S/C26H30N2O2/c1-19-11-9-17-24(30)28-26(22-15-7-4-8-16-22)20(2)12-10-18-23(29)27-25(19)21-13-5-3-6-14-21/h3-16,19-20,25-26H,17-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyNRHNQHSEKZNYCZ-UHFFFAOYSA-N
XLogP4.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione?
The IUPAC name of 6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione (CID 75307773) is 6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione.
What is the SMILES notation for 6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione?
The canonical SMILES for 6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione is CC1C=CCC(=O)NC(c2ccccc2)C(C)C=CCC(=O)NC1c1ccccc1.
What is the InChIKey of 6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione?
The InChIKey is NRHNQHSEKZNYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-19-11-9-17-24(30)28-26(22-15-7-4-8-16-22)20(2)12-10-18-23(29)27-25(19)21-13-5-3-6-14-21/h3-16,19-20,25-26H,17-18H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione?
6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione has a molecular weight of 402.54 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione is sourced from PubChem (CID 75307773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).