2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide

C24H25N2O2+ — CID 8859063

IUPAC2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)C[n+]1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c1-19(12-13-20-8-4-2-5-9-20)25-23(27)18-26-16-14-22(15-17-26)24(28)21-10-6-3-7-11-21/h2-11,14-17,19H,12-13,18H2,1H3/p+1/t19-/m1/s1
InChIKeyRJANNKUWLTUBBB-LJQANCHMSA-O
MW373.48 g/mol
LogP3.34
Rot. Bonds8

About 2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 8859063) has the molecular formula C24H25N2O2+ and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID8859063
Molecular FormulaC24H25N2O2+
Molecular Weight373.48 g/mol
Exact Mass373.19
IUPAC Name2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)C[n+]1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c1-19(12-13-20-8-4-2-5-9-20)25-23(27)18-26-16-14-22(15-17-26)24(28)21-10-6-3-7-11-21/h2-11,14-17,19H,12-13,18H2,1H3/p+1/t19-/m1/s1
InChIKeyRJANNKUWLTUBBB-LJQANCHMSA-O
XLogP3.34
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxypyridin-1-ium-1-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8751158
N-[(2R)-4-phenylbutan-2-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8877131
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
4-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzoic acid
CID 119179231
(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 40591277
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 8859063) is 2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide is C[C@H](CCc1ccccc1)NC(=O)C[n+]1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is RJANNKUWLTUBBB-LJQANCHMSA-O. The full InChI is InChI=1S/C24H24N2O2/c1-19(12-13-20-8-4-2-5-9-20)25-23(27)18-26-16-14-22(15-17-26)24(28)21-10-6-3-7-11-21/h2-11,14-17,19H,12-13,18H2,1H3/p+1/t19-/m1/s1.
What are the key properties of 2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 8859063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).