2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C23H28N2O3 — CID 17050670

IUPAC2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C23H28N2O3/c1-23(2,3)18-11-5-7-13-20(18)28-16-21(26)24-19-12-6-4-10-17(19)22(27)25-14-8-9-15-25/h4-7,10-13H,8-9,14-16H2,1-3H3,(H,24,26)
InChIKeyTVDYJZYXXZHPNA-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.24
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 17050670) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID17050670
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C23H28N2O3/c1-23(2,3)18-11-5-7-13-20(18)28-16-21(26)24-19-12-6-4-10-17(19)22(27)25-14-8-9-15-25/h4-7,10-13H,8-9,14-16H2,1-3H3,(H,24,26)
InChIKeyTVDYJZYXXZHPNA-UHFFFAOYSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17051639
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4937891
2-(2-chloro-4-fluorophenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46419749
2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17050635
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17093269
2-(4-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995
2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932401
2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide
CID 36678366
2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932497
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419
2-(4-acetylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 26905349

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 17050670) is 2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is TVDYJZYXXZHPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,3)18-11-5-7-13-20(18)28-16-21(26)24-19-12-6-4-10-17(19)22(27)25-14-8-9-15-25/h4-7,10-13H,8-9,14-16H2,1-3H3,(H,24,26).
What are the key properties of 2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 17050670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).