5-oxo-2-phenylpentanamide

C11H13NO2 — CID 154070260

IUPAC5-oxo-2-phenylpentanamide
SMILESNC(=O)C(CCC=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c12-11(14)10(7-4-8-13)9-5-2-1-3-6-9/h1-3,5-6,8,10H,4,7H2,(H2,12,14)
InChIKeyWMVMNFLXZIKMFR-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.23
Rot. Bonds5

About 5-oxo-2-phenylpentanamide

5-oxo-2-phenylpentanamide (PubChem CID 154070260) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-oxo-2-phenylpentanamide.

Molecular Properties

Compound Name5-oxo-2-phenylpentanamide
PubChem CID154070260
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-oxo-2-phenylpentanamide
SMILESNC(=O)C(CCC=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c12-11(14)10(7-4-8-13)9-5-2-1-3-6-9/h1-3,5-6,8,10H,4,7H2,(H2,12,14)
InChIKeyWMVMNFLXZIKMFR-UHFFFAOYSA-N
XLogP1.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenylheptanamide
CID 67221214
3-chloro-2-phenylpropanamide
CID 123321549
(2R)-2-phenylbutanamide
CID 139147476
(2S)-2-phenyl-3-phenylsulfanylpropanamide
CID 59979029
(2S)-2-phenylhex-5-enoic acid
CID 92982258
8-(2-methylhydrazinyl)-8-oxo-2-phenyloctanamide
CID 175390039
4-(4-methylpiperazin-1-yl)-2-phenylbutanamide
CID 54530571
ethane;pentan-2-one;2-phenylhexanamide
CID 143363215
methyl 2-(4-fluorophenyl)-5-oxopentanoate
CID 87327496
(2R)-2-(4-tert-butylphenyl)-4-phenylbutanamide
CID 129383585
3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-phenylpropanoic acid
CID 106174790
2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide
CID 175712395

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-phenylpentanamide?
The IUPAC name of 5-oxo-2-phenylpentanamide (CID 154070260) is 5-oxo-2-phenylpentanamide.
What is the SMILES notation for 5-oxo-2-phenylpentanamide?
The canonical SMILES for 5-oxo-2-phenylpentanamide is NC(=O)C(CCC=O)c1ccccc1.
What is the InChIKey of 5-oxo-2-phenylpentanamide?
The InChIKey is WMVMNFLXZIKMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-11(14)10(7-4-8-13)9-5-2-1-3-6-9/h1-3,5-6,8,10H,4,7H2,(H2,12,14).
What are the key properties of 5-oxo-2-phenylpentanamide?
5-oxo-2-phenylpentanamide has a molecular weight of 191.23 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-phenylpentanamide is sourced from PubChem (CID 154070260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).