4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide

C14H22N2O3 — CID 146459616

IUPAC4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide
SMILESCC(C)CNC(=O)C1CC(=O)C(=CN(C)C)C(=O)C1
InChIInChI=1S/C14H22N2O3/c1-9(2)7-15-14(19)10-5-12(17)11(8-16(3)4)13(18)6-10/h8-10H,5-7H2,1-4H3,(H,15,19)/b11-8-
InChIKeyOGYYJKXWSQFPIS-FLIBITNWSA-N
MW266.34 g/mol
LogP0.75
Rot. Bonds4

About 4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide

4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide (PubChem CID 146459616) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide
PubChem CID146459616
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide
SMILESCC(C)CNC(=O)C1CC(=O)C(=CN(C)C)C(=O)C1
InChIInChI=1S/C14H22N2O3/c1-9(2)7-15-14(19)10-5-12(17)11(8-16(3)4)13(18)6-10/h8-10H,5-7H2,1-4H3,(H,15,19)/b11-8-
InChIKeyOGYYJKXWSQFPIS-FLIBITNWSA-N
XLogP0.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide?
The IUPAC name of 4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide (CID 146459616) is 4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide.
What is the SMILES notation for 4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide?
The canonical SMILES for 4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide is CC(C)CNC(=O)C1CC(=O)C(=CN(C)C)C(=O)C1.
What is the InChIKey of 4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide?
The InChIKey is OGYYJKXWSQFPIS-FLIBITNWSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)7-15-14(19)10-5-12(17)11(8-16(3)4)13(18)6-10/h8-10H,5-7H2,1-4H3,(H,15,19)/b11-8-.
What are the key properties of 4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide?
4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylaminomethylidene)-N-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxamide is sourced from PubChem (CID 146459616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).