N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide

C21H26N2O4 — CID 108985894

IUPACN'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)cc1OC
InChIInChI=1S/C21H26N2O4/c1-21(2,3)15-8-6-7-9-16(15)23-20(25)19(24)22-13-14-10-11-17(26-4)18(12-14)27-5/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyARAYSNHTRZUSHO-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.26
Rot. Bonds5

About N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide

N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide (PubChem CID 108985894) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
PubChem CID108985894
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)cc1OC
InChIInChI=1S/C21H26N2O4/c1-21(2,3)15-8-6-7-9-16(15)23-20(25)19(24)22-13-14-10-11-17(26-4)18(12-14)27-5/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyARAYSNHTRZUSHO-UHFFFAOYSA-N
XLogP3.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.26
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-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide
CID 108985884
N-(2-tert-butylphenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 30752726
2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid
CID 110452270
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108530208
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
N-(2-tert-butylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109037267
N'-(2-carbamoylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506282
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
methyl N-[(3-tert-butyl-4-methoxyphenyl)methyl]carbamate
CID 110780471
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3613341

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide?
The IUPAC name of N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide (CID 108985894) is N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)cc1OC.
What is the InChIKey of N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide?
The InChIKey is ARAYSNHTRZUSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,3)15-8-6-7-9-16(15)23-20(25)19(24)22-13-14-10-11-17(26-4)18(12-14)27-5/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide?
N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide has a molecular weight of 370.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide is sourced from PubChem (CID 108985894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).