N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide

C21H23N3O4 — CID 78450790

IUPACN-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCCOc1ccc(N2C(=O)NCC(C(=O)Nc3c(C)cccc3C)C2=O)cc1
InChIInChI=1S/C21H23N3O4/c1-4-28-16-10-8-15(9-11-16)24-20(26)17(12-22-21(24)27)19(25)23-18-13(2)6-5-7-14(18)3/h5-11,17H,4,12H2,1-3H3,(H,22,27)(H,23,25)
InChIKeyAUDFUVJPFVLGIR-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.01
Rot. Bonds5

About N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide

N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (PubChem CID 78450790) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
PubChem CID78450790
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCCOc1ccc(N2C(=O)NCC(C(=O)Nc3c(C)cccc3C)C2=O)cc1
InChIInChI=1S/C21H23N3O4/c1-4-28-16-10-8-15(9-11-16)24-20(26)17(12-22-21(24)27)19(25)23-18-13(2)6-5-7-14(18)3/h5-11,17H,4,12H2,1-3H3,(H,22,27)(H,23,25)
InChIKeyAUDFUVJPFVLGIR-UHFFFAOYSA-N
XLogP3.01
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78348162
N-(5-chloro-2-methoxyphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78342444
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450908
N-(2,6-dimethylphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137313
N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78444214
1-(3-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450797
N-(2-methoxy-5-methylphenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450873
N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78348288
ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17228728
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9435760
1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973189
N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450781

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (CID 78450790) is N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is CCOc1ccc(N2C(=O)NCC(C(=O)Nc3c(C)cccc3C)C2=O)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The InChIKey is AUDFUVJPFVLGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-28-16-10-8-15(9-11-16)24-20(26)17(12-22-21(24)27)19(25)23-18-13(2)6-5-7-14(18)3/h5-11,17H,4,12H2,1-3H3,(H,22,27)(H,23,25).
What are the key properties of N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 78450790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).