2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide

C17H16N2O2 — CID 107735086

IUPAC2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide
SMILESCCN(C(=O)Cc1ccc(C#N)cc1)c1cccc(O)c1
InChIInChI=1S/C17H16N2O2/c1-2-19(15-4-3-5-16(20)11-15)17(21)10-13-6-8-14(12-18)9-7-13/h3-9,11,20H,2,10H2,1H3
InChIKeyVBVUSSMDVBCQCK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.86
Rot. Bonds4

About 2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide

2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide (PubChem CID 107735086) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide
PubChem CID107735086
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide
SMILESCCN(C(=O)Cc1ccc(C#N)cc1)c1cccc(O)c1
InChIInChI=1S/C17H16N2O2/c1-2-19(15-4-3-5-16(20)11-15)17(21)10-13-6-8-14(12-18)9-7-13/h3-9,11,20H,2,10H2,1H3
InChIKeyVBVUSSMDVBCQCK-UHFFFAOYSA-N
XLogP2.86
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-ethyl-2-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 107735690
2-(4-cyanophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62404725
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
N-(3-aminophenyl)-4-cyano-N-ethylbenzamide
CID 63229875
2-(4-cyanophenyl)-N-(3-hydroxyphenyl)acetamide
CID 103827428
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
N-ethyl-N-(3-hydroxyphenyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107736204
2-(5-amino-2-pyridinyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107735033
2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
CID 62404728

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide (CID 107735086) is 2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide is CCN(C(=O)Cc1ccc(C#N)cc1)c1cccc(O)c1.
What is the InChIKey of 2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide?
The InChIKey is VBVUSSMDVBCQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-19(15-4-3-5-16(20)11-15)17(21)10-13-6-8-14(12-18)9-7-13/h3-9,11,20H,2,10H2,1H3.
What are the key properties of 2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide?
2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 107735086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).