2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide

C26H36N2O4 — CID 17150400

IUPAC2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C26H36N2O4/c1-25(2,3)18-12-13-22(20(16-18)26(4,5)6)32-17-23(29)28-21-11-9-8-10-19(21)24(30)27-14-15-31-7/h8-13,16H,14-15,17H2,1-7H3,(H,27,30)(H,28,29)
InChIKeyPCZHHLXYWNIIRY-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.68
Rot. Bonds8

About 2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide

2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 17150400) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID17150400
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C26H36N2O4/c1-25(2,3)18-12-13-22(20(16-18)26(4,5)6)32-17-23(29)28-21-11-9-8-10-19(21)24(30)27-14-15-31-7/h8-13,16H,14-15,17H2,1-7H3,(H,27,30)(H,28,29)
InChIKeyPCZHHLXYWNIIRY-UHFFFAOYSA-N
XLogP4.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide
CID 17151289
N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603710
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17150278
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17350181
N-(2-methoxyethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94595466
2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 41455603
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17051643
2-(2,4-ditert-butylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 17356490
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17350098
2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17050635
N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 2215899

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide (CID 17150400) is 2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is PCZHHLXYWNIIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-25(2,3)18-12-13-22(20(16-18)26(4,5)6)32-17-23(29)28-21-11-9-8-10-19(21)24(30)27-14-15-31-7/h8-13,16H,14-15,17H2,1-7H3,(H,27,30)(H,28,29).
What are the key properties of 2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide?
2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 440.58 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 17150400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).