2-(4-tert-butyl-2-methylphenoxy)propanamide

C14H21NO2 — CID 55023677

IUPAC2-(4-tert-butyl-2-methylphenoxy)propanamide
SMILESCc1cc(C(C)(C)C)ccc1OC(C)C(N)=O
InChIInChI=1S/C14H21NO2/c1-9-8-11(14(3,4)5)6-7-12(9)17-10(2)13(15)16/h6-8,10H,1-5H3,(H2,15,16)
InChIKeyHTHKQMYOTJFFGM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.55
Rot. Bonds3

About 2-(4-tert-butyl-2-methylphenoxy)propanamide

2-(4-tert-butyl-2-methylphenoxy)propanamide (PubChem CID 55023677) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)propanamide.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)propanamide
PubChem CID55023677
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)propanamide
SMILESCc1cc(C(C)(C)C)ccc1OC(C)C(N)=O
InChIInChI=1S/C14H21NO2/c1-9-8-11(14(3,4)5)6-7-12(9)17-10(2)13(15)16/h6-8,10H,1-5H3,(H2,15,16)
InChIKeyHTHKQMYOTJFFGM-UHFFFAOYSA-N
XLogP2.55
TPSA52.32 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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate
CID 94156912
2-(4-amino-2,5-dimethylphenoxy)propanamide
CID 63181130
2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid
CID 71089254
N-(4-tert-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266783
3-(4-tert-butyl-2-methylphenoxy)butanimidamide
CID 114997400
(2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile
CID 94156951
2-(4-tert-butyl-2-chlorophenoxy)propanoic acid
CID 54793047
2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide
CID 82000895
(2S)-2-(4-bromo-2-methylphenoxy)propanoic acid
CID 42316822
2-amino-2-(4-tert-butyl-2-methylphenyl)acetamide
CID 116850789
ethyl 2-[4-[(1S)-1-hydroxyethyl]-2-methylphenoxy]propanoate
CID 113387042
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)propanamide?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)propanamide (CID 55023677) is 2-(4-tert-butyl-2-methylphenoxy)propanamide.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)propanamide?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)propanamide is Cc1cc(C(C)(C)C)ccc1OC(C)C(N)=O.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)propanamide?
The InChIKey is HTHKQMYOTJFFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-8-11(14(3,4)5)6-7-12(9)17-10(2)13(15)16/h6-8,10H,1-5H3,(H2,15,16).
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)propanamide?
2-(4-tert-butyl-2-methylphenoxy)propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenoxy)propanamide is sourced from PubChem (CID 55023677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).