N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide

C17H25NO2 — CID 84571474

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCOc1ccc(C(C)(C)C)cc1)C(C)=O
InChIInChI=1S/C17H25NO2/c1-6-11-18(14(2)19)12-13-20-16-9-7-15(8-10-16)17(3,4)5/h6-10H,1,11-13H2,2-5H3
InChIKeyZMMMTXSNZPSGKX-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.40
Rot. Bonds6

About N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide

N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide (PubChem CID 84571474) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide
PubChem CID84571474
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCOc1ccc(C(C)(C)C)cc1)C(C)=O
InChIInChI=1S/C17H25NO2/c1-6-11-18(14(2)19)12-13-20-16-9-7-15(8-10-16)17(3,4)5/h6-10H,1,11-13H2,2-5H3
InChIKeyZMMMTXSNZPSGKX-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide (CID 84571474) is N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide is C=CCN(CCOc1ccc(C(C)(C)C)cc1)C(C)=O.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide?
The InChIKey is ZMMMTXSNZPSGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-6-11-18(14(2)19)12-13-20-16-9-7-15(8-10-16)17(3,4)5/h6-10H,1,11-13H2,2-5H3.
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide?
N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide has a molecular weight of 275.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 84571474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).