4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide

C29H34N2O3 — CID 17235093

IUPAC4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)cc1
InChIInChI=1S/C29H34N2O3/c1-28(2,3)21-13-11-20(12-14-21)27(33)31-23-17-15-22(16-18-23)30-26(32)19-34-25-10-8-7-9-24(25)29(4,5)6/h7-18H,19H2,1-6H3,(H,30,32)(H,31,33)
InChIKeyCCHVGXZOBHJBGJ-UHFFFAOYSA-N
MW458.60 g/mol
LogP6.55
Rot. Bonds6

About 4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide

4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 17235093) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID17235093
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)cc1
InChIInChI=1S/C29H34N2O3/c1-28(2,3)21-13-11-20(12-14-21)27(33)31-23-17-15-22(16-18-23)30-26(32)19-34-25-10-8-7-9-24(25)29(4,5)6/h7-18H,19H2,1-6H3,(H,30,32)(H,31,33)
InChIKeyCCHVGXZOBHJBGJ-UHFFFAOYSA-N
XLogP6.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221634
N-(4-tert-butylphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7914312
N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17234915
4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17229672
2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17050635
4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235006
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701080
2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787974
2-(2-tert-butylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17050654
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17050893
N-(6-amino-3-pyridinyl)-2-(2-tert-butylphenoxy)acetamide;hydrochloride
CID 119515831
2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 17050626

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide (CID 17235093) is 4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is CCHVGXZOBHJBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-28(2,3)21-13-11-20(12-14-21)27(33)31-23-17-15-22(16-18-23)30-26(32)19-34-25-10-8-7-9-24(25)29(4,5)6/h7-18H,19H2,1-6H3,(H,30,32)(H,31,33).
What are the key properties of 4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide?
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 458.60 g/mol, XLogP of 6.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 17235093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).