N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide

C14H19NO2 — CID 113252924

IUPACN-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2ccccc2)C1(C)C
InChIInChI=1S/C14H19NO2/c1-14(2)11(9-12(14)17-3)15-13(16)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)
InChIKeyBVWQJUDBCAICSX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.23
Rot. Bonds3

About N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide

N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide (PubChem CID 113252924) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
PubChem CID113252924
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2ccccc2)C1(C)C
InChIInChI=1S/C14H19NO2/c1-14(2)11(9-12(14)17-3)15-13(16)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)
InChIKeyBVWQJUDBCAICSX-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide (CID 113252924) is N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The canonical SMILES for N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide is COC1CC(NC(=O)c2ccccc2)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The InChIKey is BVWQJUDBCAICSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2)11(9-12(14)17-3)15-13(16)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16).
What are the key properties of N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide is sourced from PubChem (CID 113252924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).