2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide

C17H24N2O — CID 62403845

IUPAC2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide
SMILESCCC(CC)CN(CC)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C17H24N2O/c1-4-14(5-2)13-19(6-3)17(20)11-15-7-9-16(12-18)10-8-15/h7-10,14H,4-6,11,13H2,1-3H3
InChIKeyUIUUVUWRDIYWRO-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.39
Rot. Bonds7

About 2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide

2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide (PubChem CID 62403845) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide
PubChem CID62403845
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide
SMILESCCC(CC)CN(CC)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C17H24N2O/c1-4-14(5-2)13-19(6-3)17(20)11-15-7-9-16(12-18)10-8-15/h7-10,14H,4-6,11,13H2,1-3H3
InChIKeyUIUUVUWRDIYWRO-UHFFFAOYSA-N
XLogP3.39
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
CID 62404728
2-(4-cyanophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 62404901
2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide
CID 113231690
2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 63957387
2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide
CID 115599662
2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692010
3-(aminomethyl)-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 81083740
2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 60968945
2-(4-cyanophenoxy)-N-ethyl-N-(2-methylpropyl)acetamide
CID 43243455
2-(4-cyanophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62404725
2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732292
2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 78990662

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide (CID 62403845) is 2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide is CCC(CC)CN(CC)C(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide?
The InChIKey is UIUUVUWRDIYWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-14(5-2)13-19(6-3)17(20)11-15-7-9-16(12-18)10-8-15/h7-10,14H,4-6,11,13H2,1-3H3.
What are the key properties of 2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide?
2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide has a molecular weight of 272.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide is sourced from PubChem (CID 62403845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).