3-(4-tert-butylphenoxy)-N-ethylpropanamide

C15H23NO2 — CID 60630698

IUPAC3-(4-tert-butylphenoxy)-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-16-14(17)10-11-18-13-8-6-12(7-9-13)15(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,16,17)
InChIKeyLTSOFXZHWYCHIG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.89
Rot. Bonds5

About 3-(4-tert-butylphenoxy)-N-ethylpropanamide

3-(4-tert-butylphenoxy)-N-ethylpropanamide (PubChem CID 60630698) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(4-tert-butylphenoxy)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenoxy)-N-ethylpropanamide
PubChem CID60630698
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(4-tert-butylphenoxy)-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-16-14(17)10-11-18-13-8-6-12(7-9-13)15(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,16,17)
InChIKeyLTSOFXZHWYCHIG-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62325269
1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea
CID 108882801
N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930612
2-[4-[3-(ethylamino)-3-oxopropoxy]phenyl]acetic acid
CID 62325818
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
3-(4-tert-butylphenoxy)-N-cyclopropylpropanamide
CID 60631425
2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid
CID 92923176
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 9168927
methyl 3-[4-(4-tert-butylphenoxy)butanoylamino]propanoate
CID 78773025

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenoxy)-N-ethylpropanamide?
The IUPAC name of 3-(4-tert-butylphenoxy)-N-ethylpropanamide (CID 60630698) is 3-(4-tert-butylphenoxy)-N-ethylpropanamide.
What is the SMILES notation for 3-(4-tert-butylphenoxy)-N-ethylpropanamide?
The canonical SMILES for 3-(4-tert-butylphenoxy)-N-ethylpropanamide is CCNC(=O)CCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenoxy)-N-ethylpropanamide?
The InChIKey is LTSOFXZHWYCHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-16-14(17)10-11-18-13-8-6-12(7-9-13)15(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,16,17).
What are the key properties of 3-(4-tert-butylphenoxy)-N-ethylpropanamide?
3-(4-tert-butylphenoxy)-N-ethylpropanamide has a molecular weight of 249.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenoxy)-N-ethylpropanamide is sourced from PubChem (CID 60630698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).