N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide

C16H23NO2 — CID 71810720

IUPACN-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide
SMILESCCC(CNC(=O)C1CCC1)(OC)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-3-16(19-2,14-10-5-4-6-11-14)12-17-15(18)13-8-7-9-13/h4-6,10-11,13H,3,7-9,12H2,1-2H3,(H,17,18)
InChIKeyTZYMIIYYAJIPEM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.85
Rot. Bonds6

About N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide

N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide (PubChem CID 71810720) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide
PubChem CID71810720
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide
SMILESCCC(CNC(=O)C1CCC1)(OC)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-3-16(19-2,14-10-5-4-6-11-14)12-17-15(18)13-8-7-9-13/h4-6,10-11,13H,3,7-9,12H2,1-2H3,(H,17,18)
InChIKeyTZYMIIYYAJIPEM-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide (CID 71810720) is N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide is CCC(CNC(=O)C1CCC1)(OC)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide?
The InChIKey is TZYMIIYYAJIPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-16(19-2,14-10-5-4-6-11-14)12-17-15(18)13-8-7-9-13/h4-6,10-11,13H,3,7-9,12H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide?
N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide is sourced from PubChem (CID 71810720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).