N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide

C22H22N4O4 — CID 9276978

IUPACN'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(C)c1
InChIInChI=1S/C22H22N4O4/c1-15-8-9-18(16(2)12-15)21(29)24-23-19(27)14-26-20(28)10-11-25(22(26)30)13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyWYPPOOHGXFGZJK-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.14
Rot. Bonds5

About N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide

N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide (PubChem CID 9276978) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide
PubChem CID9276978
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(C)c1
InChIInChI=1S/C22H22N4O4/c1-15-8-9-18(16(2)12-15)21(29)24-23-19(27)14-26-20(28)10-11-25(22(26)30)13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyWYPPOOHGXFGZJK-UHFFFAOYSA-N
XLogP1.14
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277211
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149
(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
CID 9470737
2,5-dimethyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 9077511
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
[2-(2-methylanilino)-2-oxoethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136786
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136802
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 29353373
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 9207698
3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 112827568
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755388

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide (CID 9276978) is N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(C)c1.
What is the InChIKey of N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide?
The InChIKey is WYPPOOHGXFGZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-15-8-9-18(16(2)12-15)21(29)24-23-19(27)14-26-20(28)10-11-25(22(26)30)13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,23,27)(H,24,29).
What are the key properties of N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide?
N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide has a molecular weight of 406.44 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 9276978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).