2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide

C18H17NO2 — CID 90706432

IUPAC2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide
SMILESCOC(C)(C(N)=O)c1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C18H17NO2/c1-18(21-2,17(19)20)16-10-6-9-15(13-16)12-11-14-7-4-3-5-8-14/h3-10,13H,1-2H3,(H2,19,20)
InChIKeyLXGLSTQQNDWSQD-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.43
Rot. Bonds3

About 2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide

2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide (PubChem CID 90706432) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide
PubChem CID90706432
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide
SMILESCOC(C)(C(N)=O)c1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C18H17NO2/c1-18(21-2,17(19)20)16-10-6-9-15(13-16)12-11-14-7-4-3-5-8-14/h3-10,13H,1-2H3,(H2,19,20)
InChIKeyLXGLSTQQNDWSQD-UHFFFAOYSA-N
XLogP2.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide?
The IUPAC name of 2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide (CID 90706432) is 2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide.
What is the SMILES notation for 2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide?
The canonical SMILES for 2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide is COC(C)(C(N)=O)c1cccc(C#Cc2ccccc2)c1.
What is the InChIKey of 2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide?
The InChIKey is LXGLSTQQNDWSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-18(21-2,17(19)20)16-10-6-9-15(13-16)12-11-14-7-4-3-5-8-14/h3-10,13H,1-2H3,(H2,19,20).
What are the key properties of 2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide?
2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide has a molecular weight of 279.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide is sourced from PubChem (CID 90706432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).