N-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide

C14H25NO2 — CID 131945198

IUPACN-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide
SMILESCOCC1(CNC(=O)C2CCCCC2)CCC1
InChIInChI=1S/C14H25NO2/c1-17-11-14(8-5-9-14)10-15-13(16)12-6-3-2-4-7-12/h12H,2-11H2,1H3,(H,15,16)
InChIKeyVINGMDFCMDAKEM-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.50
Rot. Bonds5

About N-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide

N-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide (PubChem CID 131945198) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide
PubChem CID131945198
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide
SMILESCOCC1(CNC(=O)C2CCCCC2)CCC1
InChIInChI=1S/C14H25NO2/c1-17-11-14(8-5-9-14)10-15-13(16)12-6-3-2-4-7-12/h12H,2-11H2,1H3,(H,15,16)
InChIKeyVINGMDFCMDAKEM-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide (CID 131945198) is N-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide is COCC1(CNC(=O)C2CCCCC2)CCC1.
What is the InChIKey of N-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide?
The InChIKey is VINGMDFCMDAKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-17-11-14(8-5-9-14)10-15-13(16)12-6-3-2-4-7-12/h12H,2-11H2,1H3,(H,15,16).
What are the key properties of N-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide?
N-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)cyclobutyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 131945198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).