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

C27H38N2O3 — CID 17151289

IUPACN-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C27H38N2O3/c1-9-18(2)28-25(31)20-12-10-11-13-22(20)29-24(30)17-32-23-15-14-19(26(3,4)5)16-21(23)27(6,7)8/h10-16,18H,9,17H2,1-8H3,(H,28,31)(H,29,30)
InChIKeyXIPAEJQIJSQWGS-UHFFFAOYSA-N
MW438.61 g/mol
LogP5.83
Rot. Bonds7

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

N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide (PubChem CID 17151289) has the molecular formula C27H38N2O3 and a molecular weight of 438.61 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide
PubChem CID17151289
Molecular FormulaC27H38N2O3
Molecular Weight438.61 g/mol
Exact Mass438.29
IUPAC NameN-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C27H38N2O3/c1-9-18(2)28-25(31)20-12-10-11-13-22(20)29-24(30)17-32-23-15-14-19(26(3,4)5)16-21(23)27(6,7)8/h10-16,18H,9,17H2,1-8H3,(H,28,31)(H,29,30)
InChIKeyXIPAEJQIJSQWGS-UHFFFAOYSA-N
XLogP5.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17150400
N-butan-2-yl-2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 17151196
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17151213
N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 26076171
N-butan-2-yl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 2942479
N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94592415
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17350181
N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 26706316
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide
CID 17160244
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17350098
2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17050635

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide (CID 17151289) is N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide?
The InChIKey is XIPAEJQIJSQWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O3/c1-9-18(2)28-25(31)20-12-10-11-13-22(20)29-24(30)17-32-23-15-14-19(26(3,4)5)16-21(23)27(6,7)8/h10-16,18H,9,17H2,1-8H3,(H,28,31)(H,29,30).
What are the key properties of N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide?
N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide has a molecular weight of 438.61 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17151289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).