1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide

C11H18N2O2 — CID 115661132

IUPAC1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
SMILESCOC(C)(C)CNC(=O)C1(C#N)CCC1
InChIInChI=1S/C11H18N2O2/c1-10(2,15-3)8-13-9(14)11(7-12)5-4-6-11/h4-6,8H2,1-3H3,(H,13,14)
InChIKeyLBBWJNJLQFXGLD-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.22
Rot. Bonds4

About 1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide

1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide (PubChem CID 115661132) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
PubChem CID115661132
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
SMILESCOC(C)(C)CNC(=O)C1(C#N)CCC1
InChIInChI=1S/C11H18N2O2/c1-10(2,15-3)8-13-9(14)11(7-12)5-4-6-11/h4-6,8H2,1-3H3,(H,13,14)
InChIKeyLBBWJNJLQFXGLD-UHFFFAOYSA-N
XLogP1.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
CID 59860392
1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide
CID 61459075
1-hydroxy-N-(2-methoxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 111485529
1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide
CID 115181768
1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide
CID 103993297
1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide
CID 104857177
ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate
CID 97307698
1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide
CID 115183413
methyl 3-[(1-cyanocyclohexanecarbonyl)amino]propanoate
CID 60584075
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 80598633

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide (CID 115661132) is 1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide is COC(C)(C)CNC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide?
The InChIKey is LBBWJNJLQFXGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-10(2,15-3)8-13-9(14)11(7-12)5-4-6-11/h4-6,8H2,1-3H3,(H,13,14).
What are the key properties of 1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide?
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115661132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).