2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide

C21H26N2O3 — CID 7640062

IUPAC2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-16(24)22-18-10-12-19(13-11-18)26-15-20(25)23(21(2,3)4)14-17-8-6-5-7-9-17/h5-13H,14-15H2,1-4H3,(H,22,24)
InChIKeyNOARDNUXVVVXLP-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.85
Rot. Bonds6

About 2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide

2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide (PubChem CID 7640062) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide
PubChem CID7640062
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-16(24)22-18-10-12-19(13-11-18)26-15-20(25)23(21(2,3)4)14-17-8-6-5-7-9-17/h5-13H,14-15H2,1-4H3,(H,22,24)
InChIKeyNOARDNUXVVVXLP-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
4-[2-[benzyl(tert-butyl)amino]-2-oxoethoxy]benzamide
CID 16545469
2-(4-acetamidophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 7203462
2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113166215
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 891434
N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide
CID 113095099
2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 2439696
2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide
CID 84601844
N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide
CID 3303263
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide (CID 7640062) is 2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide is CC(=O)Nc1ccc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide?
The InChIKey is NOARDNUXVVVXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(24)22-18-10-12-19(13-11-18)26-15-20(25)23(21(2,3)4)14-17-8-6-5-7-9-17/h5-13H,14-15H2,1-4H3,(H,22,24).
What are the key properties of 2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide?
2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide has a molecular weight of 354.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide is sourced from PubChem (CID 7640062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).