2-oxo-N-(2-phenylethyl)propanamide

C11H13NO2 — CID 18721992

IUPAC2-oxo-N-(2-phenylethyl)propanamide
SMILESCC(=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C11H13NO2/c1-9(13)11(14)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)
InChIKeyBNEWONFMXRTAEO-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.93
Rot. Bonds4

About 2-oxo-N-(2-phenylethyl)propanamide

2-oxo-N-(2-phenylethyl)propanamide (PubChem CID 18721992) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-oxo-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-oxo-N-(2-phenylethyl)propanamide
PubChem CID18721992
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-oxo-N-(2-phenylethyl)propanamide
SMILESCC(=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C11H13NO2/c1-9(13)11(14)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)
InChIKeyBNEWONFMXRTAEO-UHFFFAOYSA-N
XLogP0.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-oxo-N-(2-phenylethyl)propanamide (CID 18721992) is 2-oxo-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-oxo-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-oxo-N-(2-phenylethyl)propanamide is CC(=O)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-oxo-N-(2-phenylethyl)propanamide?
The InChIKey is BNEWONFMXRTAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9(13)11(14)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14).
What are the key properties of 2-oxo-N-(2-phenylethyl)propanamide?
2-oxo-N-(2-phenylethyl)propanamide has a molecular weight of 191.23 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 18721992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).