1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione

C15H20N2O2 — CID 64884536

IUPAC1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
SMILESCc1ccc(C)c(CN2CCC(=O)NC(C)C2=O)c1
InChIInChI=1S/C15H20N2O2/c1-10-4-5-11(2)13(8-10)9-17-7-6-14(18)16-12(3)15(17)19/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyMNWIYDIJZCBEJD-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.54
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione

1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione (PubChem CID 64884536) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
PubChem CID64884536
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
SMILESCc1ccc(C)c(CN2CCC(=O)NC(C)C2=O)c1
InChIInChI=1S/C15H20N2O2/c1-10-4-5-11(2)13(8-10)9-17-7-6-14(18)16-12(3)15(17)19/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyMNWIYDIJZCBEJD-UHFFFAOYSA-N
XLogP1.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione 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-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione (CID 64884536) is 1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione is Cc1ccc(C)c(CN2CCC(=O)NC(C)C2=O)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione?
The InChIKey is MNWIYDIJZCBEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-4-5-11(2)13(8-10)9-17-7-6-14(18)16-12(3)15(17)19/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione?
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64884536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).