N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide

C21H26N2O4 — CID 108510018

IUPACN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-6-15-9-7-8-13(2)19(15)23-21(25)20(24)22-14(3)16-10-11-17(26-4)18(12-16)27-5/h7-12,14H,6H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyYEAXWMDQINYGPL-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.39
Rot. Bonds6

About N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide (PubChem CID 108510018) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide
PubChem CID108510018
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-6-15-9-7-8-13(2)19(15)23-21(25)20(24)22-14(3)16-10-11-17(26-4)18(12-16)27-5/h7-12,14H,6H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyYEAXWMDQINYGPL-UHFFFAOYSA-N
XLogP3.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9001281
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethoxyphenyl)oxamide
CID 108510172
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108500688
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxypropyl)oxamide
CID 108510076
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
CID 108510021
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide
CID 108510112
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108510196

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide?
The IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide (CID 108510018) is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide.
What is the SMILES notation for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide?
The canonical SMILES for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide is CCc1cccc(C)c1NC(=O)C(=O)NC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide?
The InChIKey is YEAXWMDQINYGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-6-15-9-7-8-13(2)19(15)23-21(25)20(24)22-14(3)16-10-11-17(26-4)18(12-16)27-5/h7-12,14H,6H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide?
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide has a molecular weight of 370.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide is sourced from PubChem (CID 108510018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).