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

C20H24N2O5 — CID 90613590

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide
SMILESCOc1ccc(C(O)CNC(=O)C(=O)Nc2ccc(C)cc2C)cc1OC
InChIInChI=1S/C20H24N2O5/c1-12-5-7-15(13(2)9-12)22-20(25)19(24)21-11-16(23)14-6-8-17(26-3)18(10-14)27-4/h5-10,16,23H,11H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyBBBVOHNFVMXISB-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.11
Rot. Bonds6

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

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide (PubChem CID 90613590) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide
PubChem CID90613590
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide
SMILESCOc1ccc(C(O)CNC(=O)C(=O)Nc2ccc(C)cc2C)cc1OC
InChIInChI=1S/C20H24N2O5/c1-12-5-7-15(13(2)9-12)22-20(25)19(24)21-11-16(23)14-6-8-17(26-3)18(10-14)27-4/h5-10,16,23H,11H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyBBBVOHNFVMXISB-UHFFFAOYSA-N
XLogP2.11
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'-(2,5-dimethylphenyl)oxamide
CID 90613591
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2-methoxyphenyl)oxamide
CID 90613594
N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613622
N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613602
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,5-dimethylbenzamide
CID 72717717
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 95368322
N'-tert-butyl-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 72717745
N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide
CID 90613593
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
CID 90613607
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99903169
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108510196

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide (CID 90613590) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide is COc1ccc(C(O)CNC(=O)C(=O)Nc2ccc(C)cc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide?
The InChIKey is BBBVOHNFVMXISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-12-5-7-15(13(2)9-12)22-20(25)19(24)21-11-16(23)14-6-8-17(26-3)18(10-14)27-4/h5-10,16,23H,11H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide has a molecular weight of 372.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide is sourced from PubChem (CID 90613590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).