N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide

C22H23N3O2 — CID 91887464

IUPACN-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2cc(C)cc(C)c2)c(-c2ccccc2)n1
InChIInChI=1S/C22H23N3O2/c1-4-18-13-21(27)25(22(24-18)17-8-6-5-7-9-17)14-20(26)23-19-11-15(2)10-16(3)12-19/h5-13H,4,14H2,1-3H3,(H,23,26)
InChIKeyQGQZWCVONUNLTO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.73
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide

N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide (PubChem CID 91887464) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
PubChem CID91887464
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2cc(C)cc(C)c2)c(-c2ccccc2)n1
InChIInChI=1S/C22H23N3O2/c1-4-18-13-21(27)25(22(24-18)17-8-6-5-7-9-17)14-20(26)23-19-11-15(2)10-16(3)12-19/h5-13H,4,14H2,1-3H3,(H,23,26)
InChIKeyQGQZWCVONUNLTO-UHFFFAOYSA-N
XLogP3.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
CID 27476189
N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887493
N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
CID 91887585
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91887505
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
CID 91887588
N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028988
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 114584182
N-[3-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]phenyl]propanamide
CID 1435028
N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3482567
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 20894952
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91911984

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide (CID 91887464) is N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide is CCc1cc(=O)n(CC(=O)Nc2cc(C)cc(C)c2)c(-c2ccccc2)n1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The InChIKey is QGQZWCVONUNLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-18-13-21(27)25(22(24-18)17-8-6-5-7-9-17)14-20(26)23-19-11-15(2)10-16(3)12-19/h5-13H,4,14H2,1-3H3,(H,23,26).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 91887464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).