2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide

C15H21NO3 — CID 43388654

IUPAC2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide
SMILESCC(=O)c1cc(C)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-10-6-7-13(12(8-10)11(2)17)19-9-14(18)16-15(3,4)5/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyCEZCVMNTPAGINH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.49
Rot. Bonds4

About 2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide

2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide (PubChem CID 43388654) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide
PubChem CID43388654
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide
SMILESCC(=O)c1cc(C)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-10-6-7-13(12(8-10)11(2)17)19-9-14(18)16-15(3,4)5/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyCEZCVMNTPAGINH-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412
2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 60627416
1-[2-(2-hydroxy-2-methylbutoxy)-5-methylphenyl]ethanone
CID 114493917
N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 63326538
2-[2-(tert-butylamino)-2-oxoethoxy]-N-(3,5-dimethylphenyl)benzamide
CID 1313364
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
CID 54942552
4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide
CID 63891424
2-(2-acetyl-4-chlorophenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7167790
1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone
CID 65210652
1-[5-methyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]ethanone
CID 63902310
1-[2-(4-bromobutoxy)-5-methylphenyl]ethanone
CID 43504846
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide?
The IUPAC name of 2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide (CID 43388654) is 2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide.
What is the SMILES notation for 2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide?
The canonical SMILES for 2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide is CC(=O)c1cc(C)ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of 2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide?
The InChIKey is CEZCVMNTPAGINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-6-7-13(12(8-10)11(2)17)19-9-14(18)16-15(3,4)5/h6-8H,9H2,1-5H3,(H,16,18).
What are the key properties of 2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide?
2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide has a molecular weight of 263.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide is sourced from PubChem (CID 43388654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).