N-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide

C23H30N2O4 — CID 47643091

IUPACN-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide
SMILESCOCCOc1ccccc1NC(=O)C(=O)NCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H30N2O4/c1-23(2,3)18-11-9-17(10-12-18)13-14-24-21(26)22(27)25-19-7-5-6-8-20(19)29-16-15-28-4/h5-12H,13-16H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyFIGMKLMRFRKYRH-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.31
Rot. Bonds8

About N-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide

N-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide (PubChem CID 47643091) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide
PubChem CID47643091
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide
SMILESCOCCOc1ccccc1NC(=O)C(=O)NCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H30N2O4/c1-23(2,3)18-11-9-17(10-12-18)13-14-24-21(26)22(27)25-19-7-5-6-8-20(19)29-16-15-28-4/h5-12H,13-16H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyFIGMKLMRFRKYRH-UHFFFAOYSA-N
XLogP3.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 2250932
N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide
CID 16892036
2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 41455603
N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 86812675
N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985809
4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide
CID 7941963
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
N'-(2-ethoxyphenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
CID 90501078
methyl 2-[[2-[2-(4-chlorophenyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108985817
4-[3-[2-(3-methoxypropoxy)anilino]-3-oxopropyl]benzoic acid
CID 119182274

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide (CID 47643091) is N-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide is COCCOc1ccccc1NC(=O)C(=O)NCCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide?
The InChIKey is FIGMKLMRFRKYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-23(2,3)18-11-9-17(10-12-18)13-14-24-21(26)22(27)25-19-7-5-6-8-20(19)29-16-15-28-4/h5-12H,13-16H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide?
N-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide has a molecular weight of 398.50 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide is sourced from PubChem (CID 47643091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).