3-methoxy-3-phenylbutanamide

C11H15NO2 — CID 56986298

IUPAC3-methoxy-3-phenylbutanamide
SMILESCOC(C)(CC(N)=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(14-2,8-10(12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,12,13)
InChIKeyUQCHEHPEDRWVIH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.42
Rot. Bonds4

About 3-methoxy-3-phenylbutanamide

3-methoxy-3-phenylbutanamide (PubChem CID 56986298) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-methoxy-3-phenylbutanamide.

Molecular Properties

Compound Name3-methoxy-3-phenylbutanamide
PubChem CID56986298
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-methoxy-3-phenylbutanamide
SMILESCOC(C)(CC(N)=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(14-2,8-10(12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,12,13)
InChIKeyUQCHEHPEDRWVIH-UHFFFAOYSA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-phenylbutanamide?
The IUPAC name of 3-methoxy-3-phenylbutanamide (CID 56986298) is 3-methoxy-3-phenylbutanamide.
What is the SMILES notation for 3-methoxy-3-phenylbutanamide?
The canonical SMILES for 3-methoxy-3-phenylbutanamide is COC(C)(CC(N)=O)c1ccccc1.
What is the InChIKey of 3-methoxy-3-phenylbutanamide?
The InChIKey is UQCHEHPEDRWVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(14-2,8-10(12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,12,13).
What are the key properties of 3-methoxy-3-phenylbutanamide?
3-methoxy-3-phenylbutanamide has a molecular weight of 193.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-phenylbutanamide is sourced from PubChem (CID 56986298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).