N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide

C23H25N2O+ — CID 8876596

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)C[n+]2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O/c1-3-18(2)19-11-13-22(14-12-19)24-23(26)17-25-15-7-10-21(16-25)20-8-5-4-6-9-20/h4-16,18H,3,17H2,1-2H3/p+1/t18-/m0/s1
InChIKeyUNNXZSXEAHJZOW-SFHVURJKSA-O
MW345.47 g/mol
LogP4.79
Rot. Bonds6

About N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide

N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide (PubChem CID 8876596) has the molecular formula C23H25N2O+ and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide
PubChem CID8876596
Molecular FormulaC23H25N2O+
Molecular Weight345.47 g/mol
Exact Mass345.20
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)C[n+]2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O/c1-3-18(2)19-11-13-22(14-12-19)24-23(26)17-25-15-7-10-21(16-25)20-8-5-4-6-9-20/h4-16,18H,3,17H2,1-2H3/p+1/t18-/m0/s1
InChIKeyUNNXZSXEAHJZOW-SFHVURJKSA-O
XLogP4.79
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2R)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876594
2-(3-acetylpyridin-1-ium-1-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 8831329
N-[4-[(2R)-butan-2-yl]phenyl]-2-isoquinolin-2-ium-2-ylacetamide
CID 8829312
N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876537
2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide
CID 8876238
N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876592
N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 22890003
2-(3-methylpyridin-1-ium-1-yl)-N-phenylacetamide bromide
CID 21176144
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide (CID 8876596) is N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide is CC[C@H](C)c1ccc(NC(=O)C[n+]2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The InChIKey is UNNXZSXEAHJZOW-SFHVURJKSA-O. The full InChI is InChI=1S/C23H24N2O/c1-3-18(2)19-11-13-22(14-12-19)24-23(26)17-25-15-7-10-21(16-25)20-8-5-4-6-9-20/h4-16,18H,3,17H2,1-2H3/p+1/t18-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8876596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).