1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide

C15H24N2O — CID 71921172

IUPAC1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide
SMILESCC(C)CC1(CNC(=O)C2(C#N)CCC2)CCC1
InChIInChI=1S/C15H24N2O/c1-12(2)9-14(5-3-6-14)11-17-13(18)15(10-16)7-4-8-15/h12H,3-9,11H2,1-2H3,(H,17,18)
InChIKeyBERQVRZCKHDHPC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.01
Rot. Bonds5

About 1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide

1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide (PubChem CID 71921172) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide
PubChem CID71921172
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide
SMILESCC(C)CC1(CNC(=O)C2(C#N)CCC2)CCC1
InChIInChI=1S/C15H24N2O/c1-12(2)9-14(5-3-6-14)11-17-13(18)15(10-16)7-4-8-15/h12H,3-9,11H2,1-2H3,(H,17,18)
InChIKeyBERQVRZCKHDHPC-UHFFFAOYSA-N
XLogP3.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide (CID 71921172) is 1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide is CC(C)CC1(CNC(=O)C2(C#N)CCC2)CCC1.
What is the InChIKey of 1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is BERQVRZCKHDHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)9-14(5-3-6-14)11-17-13(18)15(10-16)7-4-8-15/h12H,3-9,11H2,1-2H3,(H,17,18).
What are the key properties of 1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide?
1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 71921172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).