1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide

C14H26N2O2 — CID 167387365

IUPAC1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide
SMILESCC(C)(C)NC(=O)C1(C(=O)NC(C)(C)C)CCC1
InChIInChI=1S/C14H26N2O2/c1-12(2,3)15-10(17)14(8-7-9-14)11(18)16-13(4,5)6/h7-9H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyMMVZGINHBYKPGJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.99
Rot. Bonds2

About 1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide

1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide (PubChem CID 167387365) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide
PubChem CID167387365
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide
SMILESCC(C)(C)NC(=O)C1(C(=O)NC(C)(C)C)CCC1
InChIInChI=1S/C14H26N2O2/c1-12(2,3)15-10(17)14(8-7-9-14)11(18)16-13(4,5)6/h7-9H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyMMVZGINHBYKPGJ-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-ditert-butylcyclobutane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide (CID 167387365) is 1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide is CC(C)(C)NC(=O)C1(C(=O)NC(C)(C)C)CCC1.
What is the InChIKey of 1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide?
The InChIKey is MMVZGINHBYKPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2,3)15-10(17)14(8-7-9-14)11(18)16-13(4,5)6/h7-9H2,1-6H3,(H,15,17)(H,16,18).
What are the key properties of 1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide?
1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide is sourced from PubChem (CID 167387365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).