2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide

C15H19NO2 — CID 167352386

IUPAC2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(C2CCC2C(C)=O)cc1
InChIInChI=1S/C15H19NO2/c1-10(17)13-7-8-14(13)12-5-3-11(4-6-12)9-15(18)16-2/h3-6,13-14H,7-9H2,1-2H3,(H,16,18)
InChIKeyGMUZADQDQZWFJM-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.06
Rot. Bonds4

About 2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide

2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide (PubChem CID 167352386) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide
PubChem CID167352386
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(C2CCC2C(C)=O)cc1
InChIInChI=1S/C15H19NO2/c1-10(17)13-7-8-14(13)12-5-3-11(4-6-12)9-15(18)16-2/h3-6,13-14H,7-9H2,1-2H3,(H,16,18)
InChIKeyGMUZADQDQZWFJM-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide (CID 167352386) is 2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(C2CCC2C(C)=O)cc1.
What is the InChIKey of 2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide?
The InChIKey is GMUZADQDQZWFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(17)13-7-8-14(13)12-5-3-11(4-6-12)9-15(18)16-2/h3-6,13-14H,7-9H2,1-2H3,(H,16,18).
What are the key properties of 2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide?
2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide has a molecular weight of 245.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetylcyclobutyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 167352386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).