2-methyl-3-oxo-N-phenylbutanamide

C11H13NO2 — CID 10877955

IUPAC2-methyl-3-oxo-N-phenylbutanamide
SMILESCC(=O)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C11H13NO2/c1-8(9(2)13)11(14)12-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,14)
InChIKeyRNZCXQSXXMSWPG-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.85
Rot. Bonds3

About 2-methyl-3-oxo-N-phenylbutanamide

2-methyl-3-oxo-N-phenylbutanamide (PubChem CID 10877955) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-phenylbutanamide
PubChem CID10877955
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-methyl-3-oxo-N-phenylbutanamide
SMILESCC(=O)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C11H13NO2/c1-8(9(2)13)11(14)12-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,14)
InChIKeyRNZCXQSXXMSWPG-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-phenylbutanamide?
The IUPAC name of 2-methyl-3-oxo-N-phenylbutanamide (CID 10877955) is 2-methyl-3-oxo-N-phenylbutanamide.
What is the SMILES notation for 2-methyl-3-oxo-N-phenylbutanamide?
The canonical SMILES for 2-methyl-3-oxo-N-phenylbutanamide is CC(=O)C(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-3-oxo-N-phenylbutanamide?
The InChIKey is RNZCXQSXXMSWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(9(2)13)11(14)12-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,14).
What are the key properties of 2-methyl-3-oxo-N-phenylbutanamide?
2-methyl-3-oxo-N-phenylbutanamide has a molecular weight of 191.23 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-phenylbutanamide is sourced from PubChem (CID 10877955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).