N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide

C18H23N2O+ — CID 8826985

IUPACN-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)C[n+]1ccccc1C
InChIInChI=1S/C18H22N2O/c1-4-14(2)16-10-5-6-11-17(16)19-18(21)13-20-12-8-7-9-15(20)3/h5-12,14H,4,13H2,1-3H3/p+1/t14-/m1/s1
InChIKeyJPLGVWFIEUMUGJ-CQSZACIVSA-O
MW283.39 g/mol
LogP3.43
Rot. Bonds5

About N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide

N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 8826985) has the molecular formula C18H23N2O+ and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide
PubChem CID8826985
Molecular FormulaC18H23N2O+
Molecular Weight283.39 g/mol
Exact Mass283.18
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)C[n+]1ccccc1C
InChIInChI=1S/C18H22N2O/c1-4-14(2)16-10-5-6-11-17(16)19-18(21)13-20-12-8-7-9-15(20)3/h5-12,14H,4,13H2,1-3H3/p+1/t14-/m1/s1
InChIKeyJPLGVWFIEUMUGJ-CQSZACIVSA-O
XLogP3.43
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826865
N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826859
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
2-(2-methylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8827004
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307010
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-(2-butan-2-ylphenyl)-2-isocyanoacetamide
CID 108814877
N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8717579
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853854
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 1122525
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide (CID 8826985) is N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide is CC[C@@H](C)c1ccccc1NC(=O)C[n+]1ccccc1C.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is JPLGVWFIEUMUGJ-CQSZACIVSA-O. The full InChI is InChI=1S/C18H22N2O/c1-4-14(2)16-10-5-6-11-17(16)19-18(21)13-20-12-8-7-9-15(20)3/h5-12,14H,4,13H2,1-3H3/p+1/t14-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide?
N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 283.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8826985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).