1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide

C16H26N2O4 — CID 125478671

IUPAC1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide
SMILESCC(C)(C)C(=O)NC(=O)C1(C(=O)NC(=O)C(C)(C)C)CCC1
InChIInChI=1S/C16H26N2O4/c1-14(2,3)10(19)17-12(21)16(8-7-9-16)13(22)18-11(20)15(4,5)6/h7-9H2,1-6H3,(H,17,19,21)(H,18,20,22)
InChIKeyAGKMFODZZNMVNA-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.53
Rot. Bonds2

About 1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide

1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide (PubChem CID 125478671) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide
PubChem CID125478671
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide
SMILESCC(C)(C)C(=O)NC(=O)C1(C(=O)NC(=O)C(C)(C)C)CCC1
InChIInChI=1S/C16H26N2O4/c1-14(2,3)10(19)17-12(21)16(8-7-9-16)13(22)18-11(20)15(4,5)6/h7-9H2,1-6H3,(H,17,19,21)(H,18,20,22)
InChIKeyAGKMFODZZNMVNA-UHFFFAOYSA-N
XLogP1.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
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 1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide (CID 125478671) is 1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide is CC(C)(C)C(=O)NC(=O)C1(C(=O)NC(=O)C(C)(C)C)CCC1.
What is the InChIKey of 1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide?
The InChIKey is AGKMFODZZNMVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-14(2,3)10(19)17-12(21)16(8-7-9-16)13(22)18-11(20)15(4,5)6/h7-9H2,1-6H3,(H,17,19,21)(H,18,20,22).
What are the key properties of 1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide?
1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide has a molecular weight of 310.39 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide is sourced from PubChem (CID 125478671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).