N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide

C19H22N2O2 — CID 45000406

IUPACN-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H22N2O2/c1-5-15-6-8-16(9-7-15)20-18(22)19(23)21-17-13(3)10-12(2)11-14(17)4/h6-11H,5H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyAXGITCGXIKJNGA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.75
Rot. Bonds3

About N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide

N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 45000406) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID45000406
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H22N2O2/c1-5-15-6-8-16(9-7-15)20-18(22)19(23)21-17-13(3)10-12(2)11-14(17)4/h6-11H,5H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyAXGITCGXIKJNGA-UHFFFAOYSA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512199
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 108986891
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9214150
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352
N-(4-hydroxy-2-methylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108509461
N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954449
N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
CID 108522318
1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea
CID 3777161
2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 132651059
N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide
CID 51058469

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide (CID 45000406) is N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide is CCc1ccc(NC(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is AXGITCGXIKJNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-5-15-6-8-16(9-7-15)20-18(22)19(23)21-17-13(3)10-12(2)11-14(17)4/h6-11H,5H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 310.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 45000406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).