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

C14H21NO2 — CID 965412

IUPACN-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C14H21NO2/c1-10-6-7-12(11(2)8-10)17-9-13(16)15-14(3,4)5/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyXBRMSZPKFOLUSH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.60
Rot. Bonds3

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

N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 965412) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
PubChem CID965412
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C14H21NO2/c1-10-6-7-12(11(2)8-10)17-9-13(16)15-14(3,4)5/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyXBRMSZPKFOLUSH-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide
CID 43388654
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
CID 51193404
N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406582
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573
N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 63326538
4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500599
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dimethylphenoxy)acetohydrazide
CID 4922319
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
CID 7275245

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide (CID 965412) is N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NC(C)(C)C)c(C)c1.
What is the InChIKey of N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is XBRMSZPKFOLUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-6-7-12(11(2)8-10)17-9-13(16)15-14(3,4)5/h6-8H,9H2,1-5H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide?
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 965412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).