2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide

C22H24N2O4 — CID 46401774

IUPAC2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCCOc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C22H24N2O4/c1-15(27-18-9-7-16(14-23)8-10-18)21(25)24-11-12-26-19-6-4-5-17-13-22(2,3)28-20(17)19/h4-10,15H,11-13H2,1-3H3,(H,24,25)
InChIKeyDQEIYJSTZKFFPP-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.23
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide

2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide (PubChem CID 46401774) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
PubChem CID46401774
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCCOc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C22H24N2O4/c1-15(27-18-9-7-16(14-23)8-10-18)21(25)24-11-12-26-19-6-4-5-17-13-22(2,3)28-20(17)19/h4-10,15H,11-13H2,1-3H3,(H,24,25)
InChIKeyDQEIYJSTZKFFPP-UHFFFAOYSA-N
XLogP3.23
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-methoxyphenoxy)propanamide
CID 55614893
3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 31825043
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855733
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 55761073
2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111124454
4-(acetamidomethyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 39284743
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(methoxymethyl)benzamide
CID 39283875
[(1S)-1-cyanoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855724
2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 51260411
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
N-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55637212

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide (CID 46401774) is 2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCCOc1cccc2c1OC(C)(C)C2.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide?
The InChIKey is DQEIYJSTZKFFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(27-18-9-7-16(14-23)8-10-18)21(25)24-11-12-26-19-6-4-5-17-13-22(2,3)28-20(17)19/h4-10,15H,11-13H2,1-3H3,(H,24,25).
What are the key properties of 2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide?
2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide has a molecular weight of 380.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide is sourced from PubChem (CID 46401774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).