(6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one

C20H24N2O — CID 92556125

IUPAC(6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one
SMILESCc1ccc(-c2ccccc2C[C@@H]2CNCCNC2=O)c(C)c1
InChIInChI=1S/C20H24N2O/c1-14-7-8-18(15(2)11-14)19-6-4-3-5-16(19)12-17-13-21-9-10-22-20(17)23/h3-8,11,17,21H,9-10,12-13H2,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyRCSMHWAWLWJOCQ-QGZVFWFLSA-N
MW308.43 g/mol
LogP2.85
Rot. Bonds3

About (6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one

(6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one (PubChem CID 92556125) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name(6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one
PubChem CID92556125
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one
SMILESCc1ccc(-c2ccccc2C[C@@H]2CNCCNC2=O)c(C)c1
InChIInChI=1S/C20H24N2O/c1-14-7-8-18(15(2)11-14)19-6-4-3-5-16(19)12-17-13-21-9-10-22-20(17)23/h3-8,11,17,21H,9-10,12-13H2,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyRCSMHWAWLWJOCQ-QGZVFWFLSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one 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 (6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one?
The IUPAC name of (6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one (CID 92556125) is (6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one.
What is the SMILES notation for (6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one?
The canonical SMILES for (6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one is Cc1ccc(-c2ccccc2C[C@@H]2CNCCNC2=O)c(C)c1.
What is the InChIKey of (6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one?
The InChIKey is RCSMHWAWLWJOCQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-7-8-18(15(2)11-14)19-6-4-3-5-16(19)12-17-13-21-9-10-22-20(17)23/h3-8,11,17,21H,9-10,12-13H2,1-2H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one?
(6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one has a molecular weight of 308.43 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[2-(2,4-dimethylphenyl)phenyl]methyl]-1,4-diazepan-5-one is sourced from PubChem (CID 92556125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).