4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide

C14H19NO4 — CID 21276344

IUPAC4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CC(=O)C(C(=O)C2CCC2)C(=O)C1
InChIInChI=1S/C14H19NO4/c1-15(2)14(19)9-6-10(16)12(11(17)7-9)13(18)8-4-3-5-8/h8-9,12H,3-7H2,1-2H3
InChIKeyUHIZMLRRBBHUKL-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.61
Rot. Bonds3

About 4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide

4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide (PubChem CID 21276344) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide
PubChem CID21276344
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CC(=O)C(C(=O)C2CCC2)C(=O)C1
InChIInChI=1S/C14H19NO4/c1-15(2)14(19)9-6-10(16)12(11(17)7-9)13(18)8-4-3-5-8/h8-9,12H,3-7H2,1-2H3
InChIKeyUHIZMLRRBBHUKL-UHFFFAOYSA-N
XLogP0.61
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide?
The IUPAC name of 4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide (CID 21276344) is 4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide.
What is the SMILES notation for 4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide?
The canonical SMILES for 4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide is CN(C)C(=O)C1CC(=O)C(C(=O)C2CCC2)C(=O)C1.
What is the InChIKey of 4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide?
The InChIKey is UHIZMLRRBBHUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15(2)14(19)9-6-10(16)12(11(17)7-9)13(18)8-4-3-5-8/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide?
4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonyl)-N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide is sourced from PubChem (CID 21276344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).