N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide

C21H27NO2 — CID 891434

IUPACN-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)c(C)c1
InChIInChI=1S/C21H27NO2/c1-16-11-12-19(17(2)13-16)24-15-20(23)22(21(3,4)5)14-18-9-7-6-8-10-18/h6-13H,14-15H2,1-5H3
InChIKeyHRPPWBNOACGILD-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.51
Rot. Bonds5

About N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide

N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 891434) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
PubChem CID891434
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)c(C)c1
InChIInChI=1S/C21H27NO2/c1-16-11-12-19(17(2)13-16)24-15-20(23)22(21(3,4)5)14-18-9-7-6-8-10-18/h6-13H,14-15H2,1-5H3
InChIKeyHRPPWBNOACGILD-UHFFFAOYSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide
CID 3303263
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid
CID 79265320
2-[benzyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide
CID 132704763
2-[[2-(2,4-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132612145
4-[2-[benzyl(tert-butyl)amino]-2-oxoethoxy]benzamide
CID 16545469
2-[[2-(2,4-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132613829
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 16532999
2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 112777582
N-cyclohexyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133176885
3-[tert-butyl-[2-(2-methylphenoxy)acetyl]amino]propanoic acid
CID 60826805
2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide
CID 7640062

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide (CID 891434) is N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)c(C)c1.
What is the InChIKey of N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is HRPPWBNOACGILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-16-11-12-19(17(2)13-16)24-15-20(23)22(21(3,4)5)14-18-9-7-6-8-10-18/h6-13H,14-15H2,1-5H3.
What are the key properties of N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide?
N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 325.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 891434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).