N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide

C20H23N3O6 — CID 90613622

IUPACN'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
SMILESCOc1ccc(C(O)CNC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C20H23N3O6/c1-12(24)22-14-5-7-15(8-6-14)23-20(27)19(26)21-11-16(25)13-4-9-17(28-2)18(10-13)29-3/h4-10,16,25H,11H2,1-3H3,(H,21,26)(H,22,24)(H,23,27)
InChIKeyZDDWDGWKHLRKEB-UHFFFAOYSA-N
MW401.42 g/mol
LogP1.45
Rot. Bonds7

About N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide

N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide (PubChem CID 90613622) has the molecular formula C20H23N3O6 and a molecular weight of 401.42 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
PubChem CID90613622
Molecular FormulaC20H23N3O6
Molecular Weight401.42 g/mol
Exact Mass401.16
IUPAC NameN'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
SMILESCOc1ccc(C(O)CNC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C20H23N3O6/c1-12(24)22-14-5-7-15(8-6-14)23-20(27)19(26)21-11-16(25)13-4-9-17(28-2)18(10-13)29-3/h4-10,16,25H,11H2,1-3H3,(H,21,26)(H,22,24)(H,23,27)
InChIKeyZDDWDGWKHLRKEB-UHFFFAOYSA-N
XLogP1.45
TPSA125.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
CID 90613607
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide
CID 90613593
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613623
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2-methoxyphenyl)oxamide
CID 90613594
N'-tert-butyl-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 72717745
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide
CID 90613590
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90613591
N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613602
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99903169
N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314341
1-tert-butyl-3-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 99780012
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide (CID 90613622) is N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide is COc1ccc(C(O)CNC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC.
What is the InChIKey of N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide?
The InChIKey is ZDDWDGWKHLRKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6/c1-12(24)22-14-5-7-15(8-6-14)23-20(27)19(26)21-11-16(25)13-4-9-17(28-2)18(10-13)29-3/h4-10,16,25H,11H2,1-3H3,(H,21,26)(H,22,24)(H,23,27).
What are the key properties of N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide?
N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide has a molecular weight of 401.42 g/mol, XLogP of 1.45, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide is sourced from PubChem (CID 90613622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).