N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide

C20H20ClN3O6 — CID 73329512

IUPACN-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CNC(=O)N(c2ccc(OC)c(OC)c2)C1=O
InChIInChI=1S/C20H20ClN3O6/c1-28-15-6-4-11(21)8-14(15)23-18(25)13-10-22-20(27)24(19(13)26)12-5-7-16(29-2)17(9-12)30-3/h4-9,13H,10H2,1-3H3,(H,22,27)(H,23,25)
InChIKeyPBUFRGRASYRPEW-UHFFFAOYSA-N
MW433.85 g/mol
LogP2.68
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (PubChem CID 73329512) has the molecular formula C20H20ClN3O6 and a molecular weight of 433.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
PubChem CID73329512
Molecular FormulaC20H20ClN3O6
Molecular Weight433.85 g/mol
Exact Mass433.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CNC(=O)N(c2ccc(OC)c(OC)c2)C1=O
InChIInChI=1S/C20H20ClN3O6/c1-28-15-6-4-11(21)8-14(15)23-18(25)13-10-22-20(27)24(19(13)26)12-5-7-16(29-2)17(9-12)30-3/h4-9,13H,10H2,1-3H3,(H,22,27)(H,23,25)
InChIKeyPBUFRGRASYRPEW-UHFFFAOYSA-N
XLogP2.68
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.85
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78342444
N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450787
N-(2-methoxy-5-methylphenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450873
N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78444230
N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78348288
1-(3-chloro-4-fluorophenyl)-2,6-dioxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 78450917
1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450947
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260423
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
CID 45000696
6-[(5-chloro-2-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6469206

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (CID 73329512) is N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CNC(=O)N(c2ccc(OC)c(OC)c2)C1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The InChIKey is PBUFRGRASYRPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O6/c1-28-15-6-4-11(21)8-14(15)23-18(25)13-10-22-20(27)24(19(13)26)12-5-7-16(29-2)17(9-12)30-3/h4-9,13H,10H2,1-3H3,(H,22,27)(H,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide has a molecular weight of 433.85 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 73329512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).