N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide

C15H17NO3 — CID 160538684

IUPACN-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC1CCC(=O)CC1=O
InChIInChI=1S/C15H17NO3/c1-9-4-3-5-10(2)14(9)15(19)16-12-7-6-11(17)8-13(12)18/h3-5,12H,6-8H2,1-2H3,(H,16,19)
InChIKeyQWMINIFBLAPDFC-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.72
Rot. Bonds2

About N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide

N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide (PubChem CID 160538684) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide
PubChem CID160538684
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC NameN-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC1CCC(=O)CC1=O
InChIInChI=1S/C15H17NO3/c1-9-4-3-5-10(2)14(9)15(19)16-12-7-6-11(17)8-13(12)18/h3-5,12H,6-8H2,1-2H3,(H,16,19)
InChIKeyQWMINIFBLAPDFC-UHFFFAOYSA-N
XLogP1.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide (CID 160538684) is N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NC1CCC(=O)CC1=O.
What is the InChIKey of N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide?
The InChIKey is QWMINIFBLAPDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-4-3-5-10(2)14(9)15(19)16-12-7-6-11(17)8-13(12)18/h3-5,12H,6-8H2,1-2H3,(H,16,19).
What are the key properties of N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide?
N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide has a molecular weight of 259.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 160538684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).