N-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide

C21H23NO3 — CID 175560279

IUPACN-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C1CC(C)(C)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C21H23NO3/c1-13(23)22-17-7-5-4-6-15(17)16-11-21(2,3)20(16)14-8-9-18-19(10-14)25-12-24-18/h4-10,16,20H,11-12H2,1-3H3,(H,22,23)
InChIKeyRLOHDHUWNJAMRU-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.67
Rot. Bonds3

About N-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide

N-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide (PubChem CID 175560279) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide
PubChem CID175560279
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C1CC(C)(C)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C21H23NO3/c1-13(23)22-17-7-5-4-6-15(17)16-11-21(2,3)20(16)14-8-9-18-19(10-14)25-12-24-18/h4-10,16,20H,11-12H2,1-3H3,(H,22,23)
InChIKeyRLOHDHUWNJAMRU-UHFFFAOYSA-N
XLogP4.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide?
The IUPAC name of N-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide (CID 175560279) is N-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide is CC(=O)Nc1ccccc1C1CC(C)(C)C1c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide?
The InChIKey is RLOHDHUWNJAMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-13(23)22-17-7-5-4-6-15(17)16-11-21(2,3)20(16)14-8-9-18-19(10-14)25-12-24-18/h4-10,16,20H,11-12H2,1-3H3,(H,22,23).
What are the key properties of N-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide?
N-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide is sourced from PubChem (CID 175560279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).