2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide

C15H23NO3 — CID 43416535

IUPAC2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide
SMILESCc1cc(C(C)(C)C)ccc1OCC(=O)NCCO
InChIInChI=1S/C15H23NO3/c1-11-9-12(15(2,3)4)5-6-13(11)19-10-14(18)16-7-8-17/h5-6,9,17H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyHZVQNQYMQCREHJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.78
Rot. Bonds5

About 2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide

2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide (PubChem CID 43416535) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide
PubChem CID43416535
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide
SMILESCc1cc(C(C)(C)C)ccc1OCC(=O)NCCO
InChIInChI=1S/C15H23NO3/c1-11-9-12(15(2,3)4)5-6-13(11)19-10-14(18)16-7-8-17/h5-6,9,17H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyHZVQNQYMQCREHJ-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide
CID 5014874
2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78821540
2-(2,4-ditert-butylphenoxy)-N-[8-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]octyl]acetamide
CID 17233420
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dimethylphenoxy)acetohydrazide
CID 4922319
1-(4-tert-butyl-2-methylphenoxy)pentan-2-one
CID 62044482
2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide
CID 4981184
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068
4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 10479091
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500599
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide (CID 43416535) is 2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide is Cc1cc(C(C)(C)C)ccc1OCC(=O)NCCO.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide?
The InChIKey is HZVQNQYMQCREHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-9-12(15(2,3)4)5-6-13(11)19-10-14(18)16-7-8-17/h5-6,9,17H,7-8,10H2,1-4H3,(H,16,18).
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide?
2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide has a molecular weight of 265.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 43416535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).