4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide

C27H30N2O3 — CID 17229672

IUPAC4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C27H30N2O3/c1-5-29(22-11-7-6-8-12-22)26(31)20-15-17-21(18-16-20)28-25(30)19-32-24-14-10-9-13-23(24)27(2,3)4/h6-18H,5,19H2,1-4H3,(H,28,30)
InChIKeySSASDIOVOHERDZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.67
Rot. Bonds7

About 4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide

4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide (PubChem CID 17229672) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
PubChem CID17229672
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C27H30N2O3/c1-5-29(22-11-7-6-8-12-22)26(31)20-15-17-21(18-16-20)28-25(30)19-32-24-14-10-9-13-23(24)27(2,3)4/h6-18H,5,19H2,1-4H3,(H,28,30)
InChIKeySSASDIOVOHERDZ-UHFFFAOYSA-N
XLogP5.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 46686486
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54826157
N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54823853
N-ethyl-N-phenyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824329
2-(2-tert-butylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17050654
4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide
CID 168520814
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17050893
N-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940
4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17196833
2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 17050626
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide (CID 17229672) is 4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is SSASDIOVOHERDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-5-29(22-11-7-6-8-12-22)26(31)20-15-17-21(18-16-20)28-25(30)19-32-24-14-10-9-13-23(24)27(2,3)4/h6-18H,5,19H2,1-4H3,(H,28,30).
What are the key properties of 4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 430.55 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 17229672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).