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

C23H25N3O4 — CID 166223908

IUPAC2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CN(CCO)C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C23H25N3O4/c1-18-6-5-9-20(14-18)16-24(12-13-27)22(29)17-26-21(28)10-11-25(23(26)30)15-19-7-3-2-4-8-19/h2-11,14,27H,12-13,15-17H2,1H3
InChIKeyCPBDDUBMZLGGBK-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.39
Rot. Bonds8

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

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 166223908) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID166223908
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CN(CCO)C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C23H25N3O4/c1-18-6-5-9-20(14-18)16-24(12-13-27)22(29)17-26-21(28)10-11-25(23(26)30)15-19-7-3-2-4-8-19/h2-11,14,27H,12-13,15-17H2,1H3
InChIKeyCPBDDUBMZLGGBK-UHFFFAOYSA-N
XLogP1.39
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 112817041
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide
CID 166223914
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149
N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 9276978
N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277211
N-benzyl-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 110888429
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 9207698
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 112826982
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520187
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
3-benzyl-1-[(3-bromophenyl)methyl]pyrimidine-2,4-dione
CID 166190063
3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 112827568

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide (CID 166223908) is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CN(CCO)C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1.
What is the InChIKey of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is CPBDDUBMZLGGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-18-6-5-9-20(14-18)16-24(12-13-27)22(29)17-26-21(28)10-11-25(23(26)30)15-19-7-3-2-4-8-19/h2-11,14,27H,12-13,15-17H2,1H3.
What are the key properties of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide?
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 166223908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).