N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide

C19H22N2O5 — CID 108510196

IUPACN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nc2ccc(C)cc2O)cc1OC
InChIInChI=1S/C19H22N2O5/c1-11-5-7-14(15(22)9-11)21-19(24)18(23)20-12(2)13-6-8-16(25-3)17(10-13)26-4/h5-10,12,22H,1-4H3,(H,20,23)(H,21,24)
InChIKeyYCOHGDVLELKWCB-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.53
Rot. Bonds5

About N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide (PubChem CID 108510196) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide
PubChem CID108510196
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nc2ccc(C)cc2O)cc1OC
InChIInChI=1S/C19H22N2O5/c1-11-5-7-14(15(22)9-11)21-19(24)18(23)20-12(2)13-6-8-16(25-3)17(10-13)26-4/h5-10,12,22H,1-4H3,(H,20,23)(H,21,24)
InChIKeyYCOHGDVLELKWCB-UHFFFAOYSA-N
XLogP2.53
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 134059754
N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108500688
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethoxyphenyl)oxamide
CID 108510172
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
CID 108510021
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
N'-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 71901746
N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 95166112
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide
CID 90613590
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxypropyl)oxamide
CID 108510076
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide
CID 108510112
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide?
The IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide (CID 108510196) is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide.
What is the SMILES notation for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide?
The canonical SMILES for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide is COc1ccc(C(C)NC(=O)C(=O)Nc2ccc(C)cc2O)cc1OC.
What is the InChIKey of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide?
The InChIKey is YCOHGDVLELKWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-11-5-7-14(15(22)9-11)21-19(24)18(23)20-12(2)13-6-8-16(25-3)17(10-13)26-4/h5-10,12,22H,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide?
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide has a molecular weight of 358.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide is sourced from PubChem (CID 108510196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).