2-oxo-3-phenyl-N-propylpropanamide

C12H15NO2 — CID 68696691

IUPAC2-oxo-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(=O)Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-2-8-13-12(15)11(14)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)
InChIKeyKVFKVILLDQBKNC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.32
Rot. Bonds5

About 2-oxo-3-phenyl-N-propylpropanamide

2-oxo-3-phenyl-N-propylpropanamide (PubChem CID 68696691) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-oxo-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name2-oxo-3-phenyl-N-propylpropanamide
PubChem CID68696691
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-oxo-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(=O)Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-2-8-13-12(15)11(14)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)
InChIKeyKVFKVILLDQBKNC-UHFFFAOYSA-N
XLogP1.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
N-(2-methylpropyl)-2-oxo-3-phenylpropanamide
CID 94682704
N'-phenyl-N-propyloxamide
CID 2291438
N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide
CID 2901283
N'-benzyl-N-propylpropanediamide
CID 108940601
3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide
CID 23598872
(E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one
CID 11414802
(2R)-2-benzyl-3-methyl-N-propylbutanamide
CID 143577799
benzene;1-phenylpropan-2-one
CID 21430852
1-benzyl-3-propylthiourea
CID 12725927
2-phenyl-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037818

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-phenyl-N-propylpropanamide?
The IUPAC name of 2-oxo-3-phenyl-N-propylpropanamide (CID 68696691) is 2-oxo-3-phenyl-N-propylpropanamide.
What is the SMILES notation for 2-oxo-3-phenyl-N-propylpropanamide?
The canonical SMILES for 2-oxo-3-phenyl-N-propylpropanamide is CCCNC(=O)C(=O)Cc1ccccc1.
What is the InChIKey of 2-oxo-3-phenyl-N-propylpropanamide?
The InChIKey is KVFKVILLDQBKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-8-13-12(15)11(14)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15).
What are the key properties of 2-oxo-3-phenyl-N-propylpropanamide?
2-oxo-3-phenyl-N-propylpropanamide has a molecular weight of 205.26 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 68696691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).