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

C14H18N2O2 — CID 113258340

IUPAC4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
SMILESCc1cccc(C)c1C(=O)N1CCCNC(=O)C1
InChIInChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)13(10)14(18)16-8-4-7-15-12(17)9-16/h3,5-6H,4,7-9H2,1-2H3,(H,15,17)
InChIKeyAHBCDRPTAARZHU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.27
Rot. Bonds1

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

4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one (PubChem CID 113258340) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
PubChem CID113258340
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
SMILESCc1cccc(C)c1C(=O)N1CCCNC(=O)C1
InChIInChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)13(10)14(18)16-8-4-7-15-12(17)9-16/h3,5-6H,4,7-9H2,1-2H3,(H,15,17)
InChIKeyAHBCDRPTAARZHU-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one
CID 65361106
4-(3,4-dimethylbenzoyl)-1,4-diazepan-2-one
CID 62896266
4-(3-bromobenzoyl)-1,4-diazepan-2-one
CID 62896483
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
CID 113230147
4-(4,5-dimethylthiophene-2-carbonyl)-1,4-diazepan-2-one
CID 62898324
4-(6-methylpyridine-3-carbonyl)-1,4-diazepan-2-one
CID 62896067
4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one
CID 62897584
4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one
CID 62896513
4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one
CID 114372478
4-(4-methyl-3-nitrobenzoyl)-1,4-diazepan-2-one
CID 62896484
4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one
CID 65360904
N-(3-methylphenyl)-3-oxo-1,4-diazepane-1-carboxamide
CID 62896707

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one (CID 113258340) is 4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one is Cc1cccc(C)c1C(=O)N1CCCNC(=O)C1.
What is the InChIKey of 4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one?
The InChIKey is AHBCDRPTAARZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)13(10)14(18)16-8-4-7-15-12(17)9-16/h3,5-6H,4,7-9H2,1-2H3,(H,15,17).
What are the key properties of 4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one?
4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one is sourced from PubChem (CID 113258340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).