4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one

C15H20N2O2 — CID 65361106

IUPAC4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one
SMILESCc1cc(C)c(C(=O)N2CCCNC(=O)C2)c(C)c1
InChIInChI=1S/C15H20N2O2/c1-10-7-11(2)14(12(3)8-10)15(19)17-6-4-5-16-13(18)9-17/h7-8H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyGWRYHJAFSMLETB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.57
Rot. Bonds1

About 4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one

4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one (PubChem CID 65361106) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one
PubChem CID65361106
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one
SMILESCc1cc(C)c(C(=O)N2CCCNC(=O)C2)c(C)c1
InChIInChI=1S/C15H20N2O2/c1-10-7-11(2)14(12(3)8-10)15(19)17-6-4-5-16-13(18)9-17/h7-8H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyGWRYHJAFSMLETB-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
CID 113258340
4-(3,4-dimethylbenzoyl)-1,4-diazepan-2-one
CID 62896266
4-(3-bromo-5-methylbenzoyl)-1,4-diazepan-2-one
CID 113460792
4-(4,5-dimethylthiophene-2-carbonyl)-1,4-diazepan-2-one
CID 62898324
1-methyl-5-(3-oxo-1,4-diazepane-1-carbonyl)pyrrole-3-sulfonamide
CID 62898014
4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one
CID 114372478
4-(4-methyl-3-nitrobenzoyl)-1,4-diazepan-2-one
CID 62896484
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
4-[2-(2,5-dimethylphenoxy)acetyl]-1,4-diazepan-2-one
CID 62896074
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
CID 113230147
4-(4-acetyl-1H-pyrrole-2-carbonyl)-1,4-diazepan-2-one
CID 62897768
4-(3-amino-5-fluoro-4-methylbenzoyl)-1,4-diazepan-2-one
CID 65361612

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one (CID 65361106) is 4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one is Cc1cc(C)c(C(=O)N2CCCNC(=O)C2)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one?
The InChIKey is GWRYHJAFSMLETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-7-11(2)14(12(3)8-10)15(19)17-6-4-5-16-13(18)9-17/h7-8H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of 4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one?
4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one is sourced from PubChem (CID 65361106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).