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

C25H35NO3 — CID 17096794

IUPAC2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide
SMILESCCCOc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c1
InChIInChI=1S/C25H35NO3/c1-8-14-28-20-11-9-10-19(16-20)26-23(27)17-29-22-13-12-18(24(2,3)4)15-21(22)25(5,6)7/h9-13,15-16H,8,14,17H2,1-7H3,(H,26,27)
InChIKeyATQGNZADLYQRNG-UHFFFAOYSA-N
MW397.56 g/mol
LogP6.09
Rot. Bonds7

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

2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide (PubChem CID 17096794) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is 2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide
PubChem CID17096794
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC Name2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide
SMILESCCCOc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c1
InChIInChI=1S/C25H35NO3/c1-8-14-28-20-11-9-10-19(16-20)26-23(27)17-29-22-13-12-18(24(2,3)4)15-21(22)25(5,6)7/h9-13,15-16H,8,14,17H2,1-7H3,(H,26,27)
InChIKeyATQGNZADLYQRNG-UHFFFAOYSA-N
XLogP6.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-ditert-butylphenoxy)-N-(3-ethoxyphenyl)acetamide
CID 17098209
N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide
CID 17356505
N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17234915
propyl 4-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzoate
CID 17356495
2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 17356474
2-(2,3-dimethylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17097883
2-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenoxy]-N-ethylacetamide
CID 34870464
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1184414
2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096701
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
2-(2-bromo-4-tert-butylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086768

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide?
The IUPAC name of 2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide (CID 17096794) is 2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide?
The canonical SMILES for 2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide is CCCOc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c1.
What is the InChIKey of 2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide?
The InChIKey is ATQGNZADLYQRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-8-14-28-20-11-9-10-19(16-20)26-23(27)17-29-22-13-12-18(24(2,3)4)15-21(22)25(5,6)7/h9-13,15-16H,8,14,17H2,1-7H3,(H,26,27).
What are the key properties of 2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide?
2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide has a molecular weight of 397.56 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide is sourced from PubChem (CID 17096794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).