N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide

C24H31NO3 — CID 17356505

IUPACN-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c1
InChIInChI=1S/C24H31NO3/c1-16(26)17-9-8-10-19(13-17)25-22(27)15-28-21-12-11-18(23(2,3)4)14-20(21)24(5,6)7/h8-14H,15H2,1-7H3,(H,25,27)
InChIKeyASQFZLCGXDFAED-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.50
Rot. Bonds5

About N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide

N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide (PubChem CID 17356505) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide
PubChem CID17356505
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC NameN-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c1
InChIInChI=1S/C24H31NO3/c1-16(26)17-9-8-10-19(13-17)25-22(27)15-28-21-12-11-18(23(2,3)4)14-20(21)24(5,6)7/h8-14H,15H2,1-7H3,(H,25,27)
InChIKeyASQFZLCGXDFAED-UHFFFAOYSA-N
XLogP5.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17234915
2-(2,4-ditert-butylphenoxy)-N-(3-ethoxyphenyl)acetamide
CID 17098209
2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096794
3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
CID 26160615
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]benzoic acid
CID 54855870
N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093218
3-[[2-(2-tert-butylphenoxy)acetyl]amino]benzoate
CID 5123909
2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 17356474
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231891
N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 7721081
propyl 4-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzoate
CID 17356495
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide (CID 17356505) is N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide is CC(=O)c1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide?
The InChIKey is ASQFZLCGXDFAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-16(26)17-9-8-10-19(13-17)25-22(27)15-28-21-12-11-18(23(2,3)4)14-20(21)24(5,6)7/h8-14H,15H2,1-7H3,(H,25,27).
What are the key properties of N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide?
N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide has a molecular weight of 381.52 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide is sourced from PubChem (CID 17356505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).