N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide

C22H23N3O3 — CID 50755388

IUPACN-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3C)c2=O)c1
InChIInChI=1S/C22H23N3O3/c1-15-10-16(2)12-19(11-15)23-20(26)14-25-21(27)8-9-24(22(25)28)13-18-7-5-4-6-17(18)3/h4-12H,13-14H2,1-3H3,(H,23,26)
InChIKeyMDPPYQWQBZBKCF-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.62
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide

N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide (PubChem CID 50755388) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
PubChem CID50755388
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3C)c2=O)c1
InChIInChI=1S/C22H23N3O3/c1-15-10-16(2)12-19(11-15)23-20(26)14-25-21(27)8-9-24(22(25)28)13-18-7-5-4-6-17(18)3/h4-12H,13-14H2,1-3H3,(H,23,26)
InChIKeyMDPPYQWQBZBKCF-UHFFFAOYSA-N
XLogP2.62
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 50755440
2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 50755367
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
1-[(2-methylphenyl)methyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 50755410
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149
N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide
CID 118727223
3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione
CID 54254183
N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 9276978
N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755527
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755299
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136802

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide (CID 50755388) is N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3C)c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The InChIKey is MDPPYQWQBZBKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-10-16(2)12-19(11-15)23-20(26)14-25-21(27)8-9-24(22(25)28)13-18-7-5-4-6-17(18)3/h4-12H,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 50755388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).