N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide

C21H26N2O2 — CID 108530217

IUPACN-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
SMILESCCN(C(=O)C(=O)Nc1ccccc1C(C)(C)C)c1cccc(C)c1
InChIInChI=1S/C21H26N2O2/c1-6-23(16-11-9-10-15(2)14-16)20(25)19(24)22-18-13-8-7-12-17(18)21(3,4)5/h7-14H,6H2,1-5H3,(H,22,24)
InChIKeyAQJQHWMBMQJBTD-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.28
Rot. Bonds3

About N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide

N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide (PubChem CID 108530217) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
PubChem CID108530217
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
SMILESCCN(C(=O)C(=O)Nc1ccccc1C(C)(C)C)c1cccc(C)c1
InChIInChI=1S/C21H26N2O2/c1-6-23(16-11-9-10-15(2)14-16)20(25)19(24)22-18-13-8-7-12-17(18)21(3,4)5/h7-14H,6H2,1-5H3,(H,22,24)
InChIKeyAQJQHWMBMQJBTD-UHFFFAOYSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532413
N-(2-tert-butylphenyl)-N',N'-diethyloxamide
CID 47335864
N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
CID 108526043
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143725
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 61103383
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
CID 108532502
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532234
N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518298
N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide
CID 108513389
N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108529447

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide (CID 108530217) is N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide is CCN(C(=O)C(=O)Nc1ccccc1C(C)(C)C)c1cccc(C)c1.
What is the InChIKey of N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
The InChIKey is AQJQHWMBMQJBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-6-23(16-11-9-10-15(2)14-16)20(25)19(24)22-18-13-8-7-12-17(18)21(3,4)5/h7-14H,6H2,1-5H3,(H,22,24).
What are the key properties of N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide has a molecular weight of 338.45 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 108530217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).